N-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2,4-dioxo-1H-pyrimidin-6-yl)piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-(2,4-dioxo-1H-pyrimidin-6-yl)piperazine-1-carbothioamide Traditional Name: N-(2,4-diketo-1H-pyrimidin-6-yl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C19H21N7O4S MolecularWeight: 443.47954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O4S/c1-29-13-7-11-12(8-14(13)30-2)20-10-21-17(11)25-3-5-26(6-4-25)19(31)23-15-9-16(27)24-18(28)22-15/h7-10H,3-6H2,1-2H3,(H3,22,23,24,27,28,31)