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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2-pyridylmethyl)piperazine-1-carbothioamide Formula: C21H24N6O2S MolecularWeight: 424.51926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=N4)OC

InChI

InChI=1S/C21H24N6O2S/c1-28-18-11-16-17(12-19(18)29-2)24-14-25-20(16)26-7-9-27(10-8-26)21(30)23-13-15-5-3-4-6-22-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,23,30)