2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(2,5-dimethoxyphenyl)-3-(4-fluorophenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C19H16FN3O3S MolecularWeight: 385.412043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2NC(=O)C(=C(N2C3=CC=C(C=C3)F)S)C#N

InChI

InChI=1S/C19H16FN3O3S/c1-25-13-7-8-16(26-2)14(9-13)17-22-18(24)15(10-21)19(27)23(17)12-5-3-11(20)4-6-12/h3-9,17,27H,1-2H3,(H,22,24)