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Summary Geometry Related PDB entries

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Summary

Name:	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
Synonyms:	Terazosin
Formula:	C19 H25 N5 O4
Formal charge:	0
Formula weight:	387.433 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone
OpenEye OEToolkits	1.7.6	[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)C4OCCC4
InChI	InChI	1.03	InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)/t14-/m1/s1
InChIKey	InChI	1.03	VCKUSRYTPJJLNI-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@H]4CCCO4
SMILES	CACTVS	3.385	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[CH]4CCCO4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4
SMILES	OpenEye OEToolkits	1.7.6	COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4CCCO4

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數據於2024-07-10公開中

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