(E,2Z)-2-[(5-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)imino]-4-phenyl-but-3-enoic acid

Systemtic Name: (E,2Z)-2-[(5-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)imino]-4-phenyl-but-3-enoic acid Openeye Name: (E,2Z)-2-[(5-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)imino]-4-phenyl-but-3-enoic acid CAS Name: (E,2Z)-2-[[5-amino-2-(methylthio)-4-oxo-1H-pyrimidin-6-yl]imino]-4-phenyl-3-butenoic acid IUPAC Name: (E,2Z)-2-[(5-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-6-yl)imino]-4-phenylbut-3-enoic acid Traditional Name: (E,2Z)-2-[[5-amino-4-keto-2-(methylthio)-1H-pyrimidin-6-yl]imino]-4-phenyl-but-3-enoic acid Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1)N=C(C=CC2=CC=CC=C2)C(=O)O)N

Isomeric SMILES

CSC1=NC(=O)C(=C(N1)/N=C(/C=C/C2=CC=CC=C2)\C(=O)O)N

InChI

InChI=1S/C15H14N4O3S/c1-23-15-18-12(11(16)13(20)19-15)17-10(14(21)22)8-7-9-5-3-2-4-6-9/h2-8H,16H2,1H3,(H,21,22)(H,18,19,20)/b8-7+,17-10-