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

Systemtic Name: methyl (E)-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enoate Openeye Name: methyl (E)-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate CAS Name: (E)-3-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)prop-2-enoate Traditional Name: (E)-3-[4-keto-2-(methylthio)-1H-pteridin-6-yl]acrylic acid methyl ester Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3S/c1-18-7(16)4-3-6-5-12-9-8(13-6)10(17)15-11(14-9)19-2/h3-5H,1-2H3,(H,12,14,15,17)/b4-3+