2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(3-methoxy-4-propan-2-yloxy-phenyl)-6-oxidanylidene-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-isopropoxy-3-methoxy-phenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(3-methoxy-4-propan-2-yloxyphenyl)-6-oxo-3-phenyl-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-isopropoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-phenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3)S)C#N)OC

InChI

InChI=1S/C21H21N3O3S/c1-13(2)27-17-10-9-14(11-18(17)26-3)19-23-20(25)16(12-22)21(28)24(19)15-7-5-4-6-8-15/h4-11,13,19,28H,1-3H3,(H,23,25)