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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC

InChI

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