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

Systemtic Name: ethyl (E)-4-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)-2-oxidanylidene-but-3-enoate Openeye Name: ethyl (E)-4-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)-2-oxo-but-3-enoate CAS Name: (E)-4-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-2-oxo-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)-2-oxobut-3-enoate Traditional Name: (E)-2-keto-4-[4-keto-2-(methylthio)-1H-pteridin-6-yl]but-3-enoic acid ethyl ester Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4S/c1-3-21-12(20)8(18)5-4-7-6-14-10-9(15-7)11(19)17-13(16-10)22-2/h4-6H,3H2,1-2H3,(H,14,16,17,19)/b5-4+