ethyl 2-[6-cyano-1,3-dimethyl-2,4-bis(oxidanylidene)pteridin-7-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[6-cyano-1,3-dimethyl-2,4-bis(oxidanylidene)pteridin-7-yl]sulfanylethanoate Openeye Name: ethyl 2-(6-cyano-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)sulfanylacetate CAS Name: 2-[(6-cyano-1,3-dimethyl-2,4-dioxo-7-pteridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-cyano-1,3-dimethyl-2,4-dioxopteridin-7-yl)sulfanylacetate Traditional Name: 2-[(6-cyano-2,4-diketo-1,3-dimethyl-pteridin-7-yl)thio]acetic acid ethyl ester Formula: C13H13N5O4S MolecularWeight: 335.33842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C#N

InChI

InChI=1S/C13H13N5O4S/c1-4-22-8(19)6-23-11-7(5-14)15-9-10(16-11)17(2)13(21)18(3)12(9)20/h4,6H2,1-3H3