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

Systemtic Name: methyl (E)-2-methyl-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)-2-methyl-prop-2-enoate CAS Name: (E)-2-methyl-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)-2-methylprop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-4-keto-1H-pteridin-6-yl]-2-methyl-acrylic acid methyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-11(17(24)25-2)8-13-9-19-15-14(20-13)16(23)22-18(21-15)26-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,19,21,22,23)/b11-8+