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

Systemtic Name: 6-chloranyl-3-[6-(4-dimethylaminophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Openeye Name: 6-chloro-3-[6-(4-dimethylaminophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one CAS Name: 6-chloro-3-[6-(4-dimethylaminophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one IUPAC Name: 6-chloro-3-[6-(4-dimethylaminophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Traditional Name: 6-chloro-3-[6-(4-dimethylaminophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]-3H-cinnolin-4-one Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5OS/c1-26(2)13-6-3-11(4-7-13)16-10-17(23-20(28)22-16)18-19(27)14-9-12(21)5-8-15(14)24-25-18/h3-10,17-18H,1-2H3,(H2,22,23,28)