ethyl (E)-5-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: ethyl (E)-5-(2-methylsulfanyl-4-oxidanylidene-1H-pteridin-6-yl)-3-oxidanylidene-pent-4-enoate Openeye Name: ethyl (E)-5-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)-3-oxo-pent-4-enoate CAS Name: (E)-5-[2-(methylthio)-4-oxo-1H-pteridin-6-yl]-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl (E)-5-(2-methylsulfanyl-4-oxo-1H-pteridin-6-yl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-[4-keto-2-(methylthio)-1H-pteridin-6-yl]pent-4-enoic acid ethyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O4S/c1-3-22-10(20)6-9(19)5-4-8-7-15-12-11(16-8)13(21)18-14(17-12)23-2/h4-5,7H,3,6H2,1-2H3,(H,15,17,18,21)/b5-4+