2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-6-(4-methoxyphenyl)-1H-pyrimidine-5-carbonitrile Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC(=O)C(=C(N1)C2=CC=C(C=C2)OC)C#N

InChI

InChI=1S/C18H19N3O3S/c1-18(2,3)14(22)10-25-17-20-15(13(9-19)16(23)21-17)11-5-7-12(24-4)8-6-11/h5-8H,10H2,1-4H3,(H,20,21,23)