methyl (E)-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pteridin-6-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pteridin-6-yl]prop-2-enoate Openeye Name: methyl (E)-3-(2-benzylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate CAS Name: (E)-3-[4-oxo-2-(phenylmethylthio)-1H-pteridin-6-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-benzylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-4-keto-1H-pteridin-6-yl]acrylic acid methyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN=C2C(=N1)C(=O)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/C1=CN=C2C(=N1)C(=O)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O3S/c1-24-13(22)8-7-12-9-18-15-14(19-12)16(23)21-17(20-15)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,20,21,23)/b8-7+