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

Systemtic Name: ethyl 7-azanyl-1,3-diethyl-4-oxidanylidene-2-sulfanylidene-pteridine-6-carboxylate Openeye Name: ethyl 7-amino-1,3-diethyl-4-oxo-2-thioxo-pteridine-6-carboxylate CAS Name: 7-amino-1,3-diethyl-4-oxo-2-sulfanylidene-6-pteridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-1,3-diethyl-4-oxo-2-sulfanylidenepteridine-6-carboxylate Traditional Name: 7-amino-1,3-diethyl-4-keto-2-thioxo-pteridine-6-carboxylic acid ethyl ester Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=S)CC)N=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=S)CC)N=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C13H17N5O3S/c1-4-17-10-8(11(19)18(5-2)13(17)22)15-7(9(14)16-10)12(20)21-6-3/h4-6H2,1-3H3,(H2,14,16)