4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-yl-piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-pyridyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-3-ylpiperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-pyridyl)piperazine-1-carbothioamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CN=CC=C4)OC

InChI

InChI=1S/C20H22N6O2S/c1-27-17-10-15-16(11-18(17)28-2)22-13-23-19(15)25-6-8-26(9-7-25)20(29)24-14-4-3-5-21-12-14/h3-5,10-13H,6-9H2,1-2H3,(H,24,29)