4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-pyridyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-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=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NC4=CC=CC=N4)OC

InChI

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