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28S

28S
Name:	6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine
Formula:	C11 H10 Br N3
SMILES:	Brc2cc1c(ncnc1NCC=C)cc2
InChi:	InChI=1S/C11H10BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h2-4,6-7H,1,5H2,(H,13,14,15)
Synonyms:	SMER28
Definition date:	2011-07-12
Last modified:	2021-03-01
Identifier:	6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine

2AL

2AL
Name:	1-(2,5-DIOXO-2,5-DIHYDRO-1H-IMIDAZOL-4-YL)UREA
Formula:	C4 H4 N4 O3
SMILES:	O=C1C(=NC(=O)N1)NC(=O)N
InChi:	InChI=1S/C4H4N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h(H4,5,6,7,8,9,10,11)
Synonyms:	ALLANTOIN
Definition date:	2006-02-07
Last modified:	2021-03-01
Identifier:	1-(2,5-dioxo-2,5-dihydro-1H-imidazol-4-yl)urea

2AQ

2AQ
Name:	QUINOLIN-2-AMINE
Formula:	C9 H8 N2
SMILES:	n1c(ccc2ccccc12)N
InChi:	InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
Synonyms:	2-AMINOQUINOLINE
Definition date:	2007-01-12
Last modified:	2021-03-01
Identifier:	quinolin-2-amine

2AR

2AR
Name:	2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE
Formula:	C11 H16 N5 O5 P
SMILES:	O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O
InChi:	InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1
Synonyms:	[ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE
Definition date:	2000-05-04
Last modified:	2021-03-01
Identifier:	[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate

N2O

N2O
Name:	NITROUS OXIDE
Formula:	N2 O
SMILES:	[O-][N+]#N
InChi:	InChI=1S/N2O/c1-2-3
Synonyms:	NITROGEN OXIDE
Definition date:	2006-09-20
Last modified:	2021-03-01
Identifier:	nitrogen oxide

N32

N32
Name:	2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid
Formula:	C24 H27 N O6
SMILES:	O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)C=CC42CCC(/C(=C)C2)CC34)C
InChi:	InChI=1S/C24H27NO6/c1-13-12-24-9-5-14(13)11-17(24)23(2,18(27)6-10-24)8-7-19(28)25-20-16(26)4-3-15(21(20)29)22(30)31/h3-4,6,10,14,17,26,29H,1,5,7-9,11-12H2,2H3,(H,25,28)(H,30,31)/t14-,17-,23-,24+/m0/s1
Synonyms:	Platencin
Definition date:	2009-06-02
Last modified:	2021-03-01
Identifier:	2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid

2BH

2BH
Name:	[(1E,5S)-5-AMINO-5-CARBOXYPENT-1-ENYL](TRIHYDROXY)BORATE(1-)
Formula:	C6 H13 B N O5
SMILES:	O=C(O)C(N)CC/C=C/[B-](O)(O)O
InChi:	InChI=1S/C6H13BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h2,4-5,11-13H,1,3,8H2,(H,9,10)/q-1/b4-2+/t5-/m0/s1
Synonyms:	DEHYDRO-2(S)-AMINO-6-BORONOHEXANOIC ACID
Definition date:	2004-06-15
Last modified:	2021-03-01
Identifier:	[(1E,5S)-5-amino-5-carboxypent-1-en-1-yl](trihydroxy)borate(1-)

N3C

N3C
Name:	4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE
Formula:	C42 H45 Cl N6 O5 S2
SMILES:	[O-][N+](=O)c2cc(ccc2NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6ccc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6
InChi:	InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
Synonyms:	ABT-737
Definition date:	2007-05-01
Last modified:	2021-03-01
Identifier:	4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-{[4-({(1R)-3-(dimethylamino)-1-[(phenylsulfanyl)methyl]propyl}amino)-3-nitrophenyl]sulfonyl}benzamide

N3E

N3E
Name:	1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE
Formula:	C15 H21 N3 O7
SMILES:	O=C(O)C3CCN(C2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)CC3
InChi:	InChI=1S/C15H21N3O7/c19-7-9-11(17-4-1-8(2-5-17)14(22)23)12(21)13(25-9)18-6-3-10(20)16-15(18)24/h3,6,8-9,11-13,19,21H,1-2,4-5,7H2,(H,22,23)(H,16,20,24)/t9-,11-,12+,13-/m1/s1
Synonyms:	3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE
Definition date:	2006-03-17
Last modified:	2021-03-01
Identifier:	1-[3-(4-carboxypiperidin-1-yl)-3-deoxy-beta-D-arabinofuranosyl]pyrimidine-2,4(1H,3H)-dione

2BP

2BP
Name:	9H-purin-2-amine
Formula:	C5 H5 N5
SMILES:	n1cc2ncnc2nc1N
InChi:	InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
Synonyms:	2-AMINOPURINE
Definition date:	2009-02-05
Last modified:	2021-03-01
Identifier:	9H-purin-2-amine

2BT

2BT
Name:	2'-O-BUTYL-THYMIDINE
Formula:	C14 H23 N2 O9 P
SMILES:	O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O
InChi:	InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1
Synonyms:	2'-O-BUTYL-5-METHYLURIDINE
Definition date:	2004-12-16
Last modified:	2021-03-01
Identifier:	2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate)

2BV

2BV
Name:	(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid
Formula:	C18 H28 Cl2 N O3 P
SMILES:	Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C
InChi:	InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1
Synonyms:	CGP 54626
Definition date:	2013-09-19
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	(R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid

2BX

2BX
Name:	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid
Formula:	C8 H15 N O3
SMILES:	O=C(O)CC1OCC(NC1)(C)C
InChi:	InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1
Synonyms:	SCH50911
Definition date:	2013-09-19
Last modified:	2021-03-01
Release date:	2013-12-11
Identifier:	[(2S)-5,5-dimethylmorpholin-2-yl]acetic acid

N4E

N4E
Name:	N-(4-ethoxyphenyl)acetamide
Formula:	C10 H13 N O2
SMILES:	O=C(Nc1ccc(OCC)cc1)C
InChi:	InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
Synonyms:	phenacetin
Definition date:	2008-09-04
Last modified:	2021-03-01
Identifier:	N-(4-ethoxyphenyl)acetamide

N4M

N4M
Name:	1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol
Formula:	C30 H45 N6 O16 P
SMILES:	O=C2N=C(N)NC=1NC(C)C(NC=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C
InChi:	InChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18-,19-,21+,23-,24-,25-,29+/m1/s1
Synonyms:	Tetrahydromethanopterin
Definition date:	2012-09-20
Last modified:	2021-03-01
Release date:	2012-10-26
Identifier:	1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol

2CR

2CR
Name:	(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
Formula:	C28 H43 N O6
SMILES:	O=C(O)C1CCCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CC=CC2)C
InChi:	InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1
Synonyms:	Borrelidin
Definition date:	2014-03-19
Last modified:	2021-03-01
Release date:	2015-03-11
Identifier:	(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid

N5I

N5I
Name:	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE
Formula:	C13 H15 N2 O8 P
SMILES:	[O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C13H15N2O8P/c16-11-6-13(23-12(11)7-22-24(19,20)21)14-4-3-8-5-9(15(17)18)1-2-10(8)14/h1-5,11-13,16H,6-7H2,(H2,19,20,21)/t11-,12+,13+/m0/s1
Synonyms:	5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-MONOPHOSPHATE
Definition date:	2007-03-21
Last modified:	2021-03-01
Identifier:	1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole

2ED

2ED
Name:	N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide
Formula:	C20 H39 N O3
SMILES:	O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C
InChi:	InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1
Synonyms:	C2-ceramide
Definition date:	2009-01-26
Last modified:	2021-03-01
Identifier:	N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide

N6M

N6M
Name:	N-METHYL-9H-PURIN-6-AMINE
Formula:	C6 H7 N5
SMILES:	n2c1c(ncn1)c(nc2)NC
InChi:	InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
Synonyms:	N6-METHYL ADENINE
Definition date:	2010-08-09
Last modified:	2021-03-01
Identifier:	N-methyl-9H-purin-6-amine

2F0

2F0
Name:	2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide
Formula:	C19 H21 Cl N4 O3
SMILES:	O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N
InChi:	InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+
Synonyms:	P32
Definition date:	2013-10-03
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide

N7I

N7I
Name:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol
Formula:	C10 H12 O3
SMILES:	Oc1ccc(cc1OC)/C=C/CO
InChi:	InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+
Synonyms:	Coniferyl alcohol
Definition date:	2010-06-02
Last modified:	2021-03-01
Release date:	2012-08-24
Identifier:	4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol

2G7

2G7
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Formula:	C19 H32 N3 O5 P
SMILES:	O=C(NCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:	InChI=1S/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/t17-/m0/s1
Synonyms:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide
Definition date:	2013-10-11
Last modified:	2021-03-01
Release date:	2014-04-02
Identifier:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide

2GC

2GC
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid
Formula:	C23 H32 N3 O5 P
SMILES:	C(OC(=O)NCP(NC(CC(C)C)C(=O)NCCc1ccccc1)(=O)O)c2ccccc2
InChi:	InChI=1S/C23H32N3O5P/c1-18(2)15-21(22(27)24-14-13-19-9-5-3-6-10-19)26-32(29,30)17-25-23(28)31-16-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,24,27)(H,25,28)(H2,26,29,30)/t21-/m0/s1
Synonyms:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide
Definition date:	2013-10-11
Last modified:	2021-03-01
Release date:	2014-04-02
Identifier:	N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide

2GF

2GF
Name:	[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate
Formula:	C9 H11 Cl N3 O7 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(Cl)=C1)CC2=O
InChi:	InChI=1S/C9H11ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,6-7H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-/m1/s1
Synonyms:	5-CHLORO DEOXYCYTIDINE-5'-MONOPHOSPHATE
Definition date:	2013-10-15
Last modified:	2021-03-01
Release date:	2013-11-06
Identifier:	[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate

2H0

2H0
Name:	P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid
Formula:	C20 H34 N3 O5 P
SMILES:	O=C(NCCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C
InChi:	InChI=1S/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t18-/m0/s1
Synonyms:	N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide
Definition date:	2013-10-17
Last modified:	2021-03-01
Release date:	2014-04-02
Identifier:	N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide

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