English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

1M7

Summary

Name:	(4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one
Formula:	C19 H21 N5 O
Formal charge:	0
Formula weight:	335.403 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-2-amino-1,3',3'-trimethyl-7'-(pyrimidin-5-yl)-3',4'-dihydro-2'H-spiro[imidazole-4,1'-naphthalen]-5(1H)-one
OpenEye OEToolkits	1.7.6	(4R)-2'-azanyl-2,2,3'-trimethyl-6-pyrimidin-5-yl-spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(C(=NC14c3c(ccc(c2cncnc2)c3)CC(C4)(C)C)N)C
InChI	InChI	1.03	InChI=1S/C19H21N5O/c1-18(2)7-13-5-4-12(14-8-21-11-22-9-14)6-15(13)19(10-18)16(25)24(3)17(20)23-19/h4-6,8-9,11H,7,10H2,1-3H3,(H2,20,23)/t19-/m1/s1
InChIKey	InChI	1.03	UPOMBIAVTOFWMY-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.370	CN1C(=N[C@@]2(CC(C)(C)Cc3ccc(cc23)c4cncnc4)C1=O)N
SMILES	CACTVS	3.370	CN1C(=N[C]2(CC(C)(C)Cc3ccc(cc23)c4cncnc4)C1=O)N
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C
SMILES	OpenEye OEToolkits	1.7.6	CC1(Cc2ccc(cc2C3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C

225399

건을2024-09-25부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon