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Summary Geometry Related PDB entries

H24

Summary

Name:	(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
Formula:	C19 H21 N3 O2
Formal charge:	0
Formula weight:	323.389 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
OpenEye OEToolkits	1.5.0	(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3N(C(=NC(c2cc(c1cccc(OC)c1)ccc2)(C)C3)N)C
SMILES_CANONICAL	CACTVS	3.341	COc1cccc(c1)c2cccc(c2)[C@]3(C)CC(=O)N(C)C(=N3)N
SMILES	CACTVS	3.341	COc1cccc(c1)c2cccc(c2)[C]3(C)CC(=O)N(C)C(=N3)N
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC
SMILES	OpenEye OEToolkits	1.5.0	CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC
InChI	InChI	1.03	InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChIKey	InChI	1.03	LQOCXPOKEPYGTJ-IBGZPJMESA-N

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건을2024-07-24부터공개중

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