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PDB Info pages Status search Chemie search: 44311 results BIRD

NIW

NIW
Name:	2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Formula:	C21 H24 N2 O7
SMILES:	O=C(c1c(c(c(nc1C)C)C(OC(C)C)=O)c2cc([N+]([O-])=O)ccc2)OCCOC
InChi:	InChI=1S/C21H24N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12H,9-10H2,1-5H3
Synonyms:	Nimodipine M (dehydro)
Definition date:	2017-12-12
Last modified:	2020-06-17
Release date:	2019-03-13
Identifier:	2-methoxyethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

NJP

NJP
Name:	5-hydroxy-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Formula:	C21 H29 N7 O18 P3
SMILES:	NC(=O)c1cc(O)c[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H28N7O18P3/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(45-47(34,35)36)14(31)11(44-21)5-42-49(39,40)46-48(37,38)41-4-10-13(30)15(32)20(43-10)27-2-8(18(23)33)1-9(29)3-27/h1-3,6-7,10-11,13-16,20-21,30-32H,4-5H2,(H8-,22,23,24,25,29,33,34,35,36,37,38,39,40)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	5-hydroxy-NADP
Definition date:	2010-02-12
Last modified:	2020-06-17
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-5-hydroxy-pyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

6ZV

6ZV
Name:	N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]py rimidin-2-amine
Formula:	C27 H32 F2 N8
SMILES:	C(C)N1CCN(CC1)Cc5ccc(Nc2nc(c(F)cn2)c4cc3c(nc(C)n3C(C)C)c(c4)F)nc5
InChi:	InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
Synonyms:	Abemaciclib
Definition date:	2016-08-03
Last modified:	2020-06-17
Release date:	2016-08-23
Identifier:	N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-benzimidazol-6-yl]pyrimidin-2-amine

6ZZ

6ZZ
Name:	7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C23 H30 N8 O
SMILES:	c1(nc2c(cn1)cc(C(N(C)C)=O)n2C3CCCC3)Nc4ncc(cc4)N5CCNCC5
InChi:	InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
Synonyms:	Ribociclib
Definition date:	2016-08-03
Last modified:	2020-06-17
Release date:	2016-08-23
Identifier:	7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

NKQ

NKQ
Name:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate
Formula:	C21 H37 O7 P
SMILES:	O=P(OCC(O)COC(=O)CCCCCCC/C=C/CC=C/CC=C/CC)(O)O
InChi:	InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)/b4-3-,7-6-,10-9+/t20-/m1/s1
Synonyms:	18:3 LPA, 1-linolenoyl-lysophosphatidic acid
Definition date:	2010-11-05
Last modified:	2020-06-17
Identifier:	(2R)-2-hydroxy-3-(phosphonooxy)propyl (9E,12Z,15Z)-octadeca-9,12,15-trienoate

715

715
Name:	(2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE
Formula:	C16 H15 F6 N5 O
SMILES:	Fc1cc(c(F)cc1F)CC(N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F
InChi:	InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
Synonyms:	Sitagliptin
Definition date:	2004-08-16
Last modified:	2020-06-17
Identifier:	(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine

71C

71C
Name:	5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid
Formula:	C33 H27 N O8
SMILES:	c1(c(cc(C(O)=O)c(c1)C(=O)O)C(O)=O)C(=O)N(Cc2cccc(c2)Oc3ccccc3)C4CCCc5ccccc45
InChi:	InChI=1S/C33H27NO8/c35-30(25-17-27(32(38)39)28(33(40)41)18-26(25)31(36)37)34(29-15-7-10-21-9-4-5-14-24(21)29)19-20-8-6-13-23(16-20)42-22-11-2-1-3-12-22/h1-6,8-9,11-14,16-18,29H,7,10,15,19H2,(H,36,37)(H,38,39)(H,40,41)/t29-/m0/s1
Synonyms:	antagonist A-317491
Definition date:	2016-08-10
Last modified:	2020-06-17
Release date:	2016-10-05
Identifier:	5-{[(3-phenoxyphenyl)methyl][(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}benzene-1,2,4-tricarboxylic acid

71E

71E
Name:	DZ 2384
Formula:	C34 H36 F N5 O7
SMILES:	CC(C)[CH](O)C(=O)N[CH]1Cc2ccc3O[CH]4Nc5ccc(F)cc5[C]4(c6oc(nc6c7occ(CO)n7)[CH](NC1=O)C(C)(C)C)c3c2
InChi:	InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25+,26+,32+,34-/m0/s1
Synonyms:	optimized synthetic derivative of diazonamide AB-5
Definition date:	2016-08-11
Last modified:	2020-06-17
Release date:	2016-11-30

NLQ

NLQ
Name:	N~2~-ACETYL-L-GLUTAMINE
Formula:	C7 H12 N2 O4
SMILES:	O=C(NC(C(=O)O)CCC(=O)N)C
InChi:	InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1
Synonyms:	N-ACETYL-L-GLUTAMINE
Definition date:	2004-10-12
Last modified:	2020-06-17
Identifier:	N~2~-acetyl-L-glutamine

71I

71I
Name:	(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol
Formula:	C11 H20 N2 O4 S
SMILES:	CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1
InChi:	InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:	Butylaminothiazoline
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-08-31
Identifier:	(3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

NMA

NMA
Name:	N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-2-METHYLALANINE
Formula:	C12 H19 N2 O7 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)(C)C
InChi:	InChI=1S/C12H19N2O7P/c1-7-10(15)9(5-14-12(2,3)11(16)17)8(4-13-7)6-21-22(18,19)20/h4,14-15H,5-6H2,1-3H3,(H,16,17)(H2,18,19,20)
Synonyms:	N-PYRIDOXYL-2-METHYLALANINE-5-PHOSPHATE
Definition date:	1999-11-17
Last modified:	2020-06-17
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-2-methyl-D-alanine

71Y

71Y
Name:	~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole -2-carboxamide
Formula:	C20 H23 Cl N2 O3
SMILES:	CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23
InChi:	InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1
Synonyms:	I-p300
Definition date:	2016-08-14
Last modified:	2020-06-17
Release date:	2017-08-16
Identifier:	~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide

NMN

NMN
Name:	BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE
Formula:	C11 H16 N2 O8 P
SMILES:	O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N
InChi:	InChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
Synonyms:	NICOTINAMIDE MONONUCLEOTIDE
Definition date:	2001-01-24
Last modified:	2020-06-17
Identifier:	3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium

72E

72E
Name:	4-(2-methylphenyl)-benzenesulfonamide
Formula:	C13 H13 N O2 S
SMILES:	Cc1c(cccc1)c2ccc(S(=O)(=O)N)cc2
InChi:	InChI=1S/C13H13NO2S/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)17(14,15)16/h2-9H,1H3,(H2,14,15,16)
Synonyms:	2'-methyl[1,1'-biphenyl]-4-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	2'-methyl[1,1'-biphenyl]-4-sulfonamide

72G

72G
Name:	4-(3-formylphenyl)-benzenesulfonamide
Formula:	C13 H11 N O3 S
SMILES:	O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2
InChi:	InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)
Synonyms:	3'-formyl[1,1'-biphenyl]-4-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	3'-formyl[1,1'-biphenyl]-4-sulfonamide

72H

72H
Name:	4-(3-quinolinyl)-benzenesulfonamide
Formula:	C15 H12 N2 O2 S
SMILES:	c2c1ccccc1ncc2c3ccc(S(=O)(=O)N)cc3
InChi:	InChI=1S/C15H12N2O2S/c16-20(18,19)14-7-5-11(6-8-14)13-9-12-3-1-2-4-15(12)17-10-13/h1-10H,(H2,16,18,19)
Synonyms:	4-(quinolin-3-yl)benzene-1-sulfonamide
Definition date:	2016-08-15
Last modified:	2020-06-17
Release date:	2016-12-21
Identifier:	4-(quinolin-3-yl)benzene-1-sulfonamide

NMY

NMY
Name:	NEOMYCIN
Formula:	C23 H46 N6 O13
SMILES:	O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO
InChi:	InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Synonyms:	MYCIFRADIN
Definition date:	2007-07-25
Last modified:	2020-06-17
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside

NMZ

NMZ
Name:	(2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide
Formula:	C27 H52 F N7 O14
SMILES:	FC1C(O)C(N)C(OC1CN)OC4C(N)CC(NC(=O)C(O)CCN)C(O)C4OC3OC(C(OC2OC(CN)C(O)C(O)C2N)C3O)CO
InChi:	InChI=1S/C27H52FN7O14/c28-13-10(4-30)44-25(14(33)18(13)40)47-21-7(32)3-8(35-24(43)9(37)1-2-29)16(38)23(21)49-27-20(42)22(12(6-36)46-27)48-26-15(34)19(41)17(39)11(5-31)45-26/h7-23,25-27,36-42H,1-6,29-34H2,(H,35,43)/t7-,8+,9-,10+,11-,12+,13-,14+,15+,16-,17+,18-,19+,20+,21+,22+,23+,25+,26+,27-/m0/s1
Synonyms:	1-N-[(S)-4-Amino-2-hydroxybutanoyl]-4'-deoxy-4'-fluoro-4'-epineomycin
Definition date:	2014-05-16
Last modified:	2020-06-17
Release date:	2015-01-07
Identifier:	(2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide

NNR

NNR
Name:	Nicotinamide riboside
Formula:	C11 H15 N2 O5
SMILES:	O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N
InChi:	InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1
Synonyms:	3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium
Definition date:	2007-08-06
Last modified:	2020-06-17
Identifier:	3-carbamoyl-1-beta-D-ribofuranosylpyridinium

NOC

NOC
Name:	3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL
Formula:	C11 H15 N5 O3
SMILES:	n1c(c2ncn(c2nc1)C3CC(CO)C(O)C3O)N
InChi:	InChI=1S/C11H15N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h3-6,8-9,17-19H,1-2H2,(H2,12,13,14)/t5-,6+,8-,9-/m0/s1
Synonyms:	NEPLANOCIN
Definition date:	2002-04-23
Last modified:	2020-06-17
Identifier:	(1S,2S,3R,5S)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol

NOM

NOM
Name:	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE
Formula:	C16 H12 O6
SMILES:	O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C
InChi:	InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1
Synonyms:	NANAOMYCIN D
Definition date:	2002-12-10
Last modified:	2020-06-17
Identifier:	(3aS,5S,11bR)-7-hydroxy-5-methyl-3,3a,5,11b-tetrahydro-2H-benzo[g]furo[3,2-c]isochromene-2,6,11-trione

NOV

NOV
Name:	NOVOBIOCIN
Formula:	C31 H36 N2 O11
SMILES:	O=C(c1ccc(O)c(c1)CC=C(/C)C)NC3=C(O)c4ccc(OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)C
InChi:	InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
Synonyms:	4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide

74T

74T
Name:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-p henylbutan-2-yl}carbamate
Formula:	C38 H53 N5 O7 S2
SMILES:	O=C(OC1C2CCOC2OC1)NC(Cc3ccccc3)C(O)CN(CC(C)C)S(=O)(=O)c4ccc5nc(sc5c4)NC7CCN(C6CCCC6)CC7
InChi:	InChI=1S/C38H53N5O7S2/c1-25(2)22-43(23-33(44)32(20-26-8-4-3-5-9-26)41-38(45)50-34-24-49-36-30(34)16-19-48-36)52(46,47)29-12-13-31-35(21-29)51-37(40-31)39-27-14-17-42(18-15-27)28-10-6-7-11-28/h3-5,8-9,12-13,21,25,27-28,30,32-34,36,44H,6-7,10-11,14-20,22-24H2,1-2H3,(H,39,40)(H,41,45)/t30-,32-,33+,34-,36+/m0/s1
Synonyms:	TMC310911
Definition date:	2011-03-22
Last modified:	2020-06-17
Identifier:	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentylpiperidin-4-yl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate

NP0

NP0
Name:	N-hydroxypropan-1-amine
Formula:	C3 H9 N O
SMILES:	CCCNO
InChi:	InChI=1S/C3H9NO/c1-2-3-4-5/h4-5H,2-3H2,1H3
Synonyms:	1-nitrosopropane, bound form
Definition date:	2017-08-24
Last modified:	2020-06-17
Release date:	2019-07-17
Identifier:	N-hydroxypropan-1-amine

74X

74X
Name:	1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[[(2R,3S)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxol an-2-yl]methyl]thiourea
Formula:	C18 H18 Cl F3 N4 O4 S
SMILES:	FC(F)(F)c1cc(ccc1Cl)NC(=S)NCC3OC(N2C(=O)NC(=O)C(=C2)C)CC3O
InChi:	InChI=1S/C18H18ClF3N4O4S/c1-8-7-26(17(29)25-15(8)28)14-5-12(27)13(30-14)6-23-16(31)24-9-2-3-11(19)10(4-9)18(20,21)22/h2-4,7,12-14,27H,5-6H2,1H3,(H2,23,24,31)(H,25,28,29)/t12-,13+,14-/m0/s1
Synonyms:	(THIO)UREA-ALPHA-DEOXYTHYMIDINE DERIVATIVE
Definition date:	2012-10-24
Last modified:	2020-06-17
Release date:	2013-07-24
Identifier:	5'-({[4-chloro-3-(trifluoromethyl)phenyl]carbamothioyl}amino)-2',5'-dideoxy-3,4-dihydrothymidine

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