1-[2,3-bis(oxidanyl)propyl]-2-methylsulfanyl-6-oxidanylidene-4-[(E)-2-phenylethenyl]pyrimidine-5-carbonitrile

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-2-methylsulfanyl-6-oxidanylidene-4-[(E)-2-phenylethenyl]pyrimidine-5-carbonitrile Openeye Name: 1-(2,3-dihydroxypropyl)-2-methylsulfanyl-6-oxo-4-[(E)-styryl]pyrimidine-5-carbonitrile CAS Name: 1-(2,3-dihydroxypropyl)-2-(methylthio)-6-oxo-4-[(E)-2-phenylethenyl]-5-pyrimidinecarbonitrile IUPAC Name: 1-(2,3-dihydroxypropyl)-2-methylsulfanyl-6-oxo-4-[(E)-2-phenylethenyl]pyrimidine-5-carbonitrile Traditional Name: 1-glyceryl-6-keto-2-(methylthio)-4-[(E)-styryl]pyrimidine-5-carbonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=O)N1CC(CO)O)C#N)C=CC2=CC=CC=C2

Isomeric SMILES

CSC1=NC(=C(C(=O)N1CC(CO)O)C#N)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-24-17-19-15(8-7-12-5-3-2-4-6-12)14(9-18)16(23)20(17)10-13(22)11-21/h2-8,13,21-22H,10-11H2,1H3/b8-7+