ethyl 7-azanyl-1,3-dimethyl-4-oxidanylidene-2-sulfanylidene-pteridine-6-carboxylate

Systemtic Name: ethyl 7-azanyl-1,3-dimethyl-4-oxidanylidene-2-sulfanylidene-pteridine-6-carboxylate Openeye Name: ethyl 7-amino-1,3-dimethyl-4-oxo-2-thioxo-pteridine-6-carboxylate CAS Name: 7-amino-1,3-dimethyl-4-oxo-2-sulfanylidene-6-pteridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-1,3-dimethyl-4-oxo-2-sulfanylidenepteridine-6-carboxylate Traditional Name: 7-amino-4-keto-1,3-dimethyl-2-thioxo-pteridine-6-carboxylic acid ethyl ester Formula: C11H13N5O3S MolecularWeight: 295.31762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(N=C1N)N(C(=S)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)C1=NC2=C(N=C1N)N(C(=S)N(C2=O)C)C

InChI

InChI=1S/C11H13N5O3S/c1-4-19-10(18)5-7(12)14-8-6(13-5)9(17)16(3)11(20)15(8)2/h4H2,1-3H3,(H2,12,14)