4-(7,8-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide hydrochloride

Systemtic Name: 4-(7,8-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide hydrochloride Openeye Name: 4-(7,8-dimethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide hydrochloride CAS Name: 4-(7,8-dimethoxy-4-quinazolinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide hydrochloride IUPAC Name: 4-(7,8-dimethoxyquinazolin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide hydrochloride Traditional Name: 4-(7,8-dimethoxyquinazolin-4-yl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide hydrochloride Formula: C21H25ClN6O2S MolecularWeight: 460.9802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC.Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CN=CC=C4)OC.Cl

InChI

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