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

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide dihydrochloride IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide dihydrochloride Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide dihydrochloride Formula: C21H26Cl2N6O2S MolecularWeight: 497.44114

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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.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2S.2ClH/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);2*1H