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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-thienylmethyl)piperazine-1-carboxamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(thiophen-2-ylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-thenyl)piperazine-1-carboxamide Formula: C20H23N5O3S MolecularWeight: 413.49332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=CS4)OC

InChI

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