2-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-[(1-methylpyrazol-4-yl)methyl]-4-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-benzylsulfanyl-5-[(1-methylpyrazol-4-yl)methyl]-4-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-[(1-methyl-4-pyrazolyl)methyl]-4-oxo-2-(phenylmethylthio)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-benzylsulfanyl-5-[(1-methylpyrazol-4-yl)methyl]-4-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-(benzylthio)-4-keto-5-[(1-methylpyrazol-4-yl)methyl]pyrimidin-1-yl]acetic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CN1C=C(C=N1)CC2=CN(C(=NC2=O)SCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C18H18N4O3S/c1-21-9-14(8-19-21)7-15-10-22(11-16(23)24)18(20-17(15)25)26-12-13-5-3-2-4-6-13/h2-6,8-10H,7,11-12H2,1H3,(H,23,24)