4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-thienylmethyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-thiophenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-3-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-thenyl)piperazine-1-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CSC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CSC=C4)OC

InChI

InChI=1S/C20H23N5O3S/c1-27-17-9-15-16(10-18(17)28-2)22-13-23-19(15)24-4-6-25(7-5-24)20(26)21-11-14-3-8-29-12-14/h3,8-10,12-13H,4-7,11H2,1-2H3,(H,21,26)