6-chloranyl-3-[6-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one

Systemtic Name: 6-chloranyl-3-[6-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Openeye Name: 6-chloro-3-[6-(3,4-dimethoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one CAS Name: 6-chloro-3-[6-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one IUPAC Name: 6-chloro-3-[6-(3,4-dimethoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Traditional Name: 6-chloro-3-[6-(3,4-dimethoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(NC(=S)N2)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(NC(=S)N2)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3)OC

InChI

InChI=1S/C20H17ClN4O3S/c1-27-16-6-3-10(7-17(16)28-2)14-9-15(23-20(29)22-14)18-19(26)12-8-11(21)4-5-13(12)24-25-18/h3-9,15,18H,1-2H3,(H2,22,23,29)