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

Systemtic Name: methyl (E)-2-methyl-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enoate Openeye Name: methyl (E)-2-methyl-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate CAS Name: (E)-2-methyl-3-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-methyl-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate Traditional Name: (E)-3-[4-keto-2-(methylthio)-1H-pteridin-6-yl]-2-methyl-acrylic acid methyl ester Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=CN=C2C(=N1)C(=O)N=C(N2)SC)/C(=O)OC

InChI

InChI=1S/C12H12N4O3S/c1-6(11(18)19-2)4-7-5-13-9-8(14-7)10(17)16-12(15-9)20-3/h4-5H,1-3H3,(H,13,15,16,17)/b6-4+