4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-[[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-[[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-2-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=O)NC(=C2C#N)C

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NC(=O)NC(=C2C#N)C

InChI

InChI=1S/C17H18N4O2S/c1-5-6-21-10(2)7-13(12(21)4)15(22)9-24-16-14(8-18)11(3)19-17(23)20-16/h5,7H,1,6,9H2,2-4H3,(H,19,20,23)