4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2-thiophen-2-ylethyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[2-(2-thienyl)ethyl]piperazine-1-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCCC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCCC4=CC=CS4)OC

InChI

InChI=1S/C21H25N5O3S/c1-28-18-12-16-17(13-19(18)29-2)23-14-24-20(16)25-7-9-26(10-8-25)21(27)22-6-5-15-4-3-11-30-15/h3-4,11-14H,5-10H2,1-2H3,(H,22,27)