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

Systemtic Name: ethyl (E)-2-methyl-3-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-4-20-12(19)7(2)5-8-6-14-10-9(15-8)11(18)17-13(16-10)21-3/h5-6H,4H2,1-3H3,(H,14,16,17,18)/b7-5+