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Summary Geometry Related PDB entries

NEZ

Summary

Name:	6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
Formula:	C18 H17 N5 O
Formal charge:	0
Formula weight:	319.36 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
OpenEye OEToolkits	1.5.0	6-amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc4)C)N
SMILES_CANONICAL	CACTVS	3.341	Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1
SMILES	CACTVS	3.341	Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=Nc24)N)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
InChI	InChI	1.03	InChI=1S/C18H17N5O/c1-10-2-4-11(5-3-10)6-7-12-15-13(17(24)23-18(19)22-15)8-14-16(12)21-9-20-14/h2-5,8-9H,6-7H2,1H3,(H,20,21)(H3,19,22,23,24)
InChIKey	InChI	1.03	SPVJRTJUEVXOMS-UHFFFAOYSA-N

218853

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