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

Systemtic Name: ethyl 7-azanyl-1,3-dibutyl-4-oxidanylidene-2-sulfanylidene-pteridine-6-carboxylate Openeye Name: ethyl 7-amino-1,3-dibutyl-4-oxo-2-thioxo-pteridine-6-carboxylate CAS Name: 7-amino-1,3-dibutyl-4-oxo-2-sulfanylidene-6-pteridinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-1,3-dibutyl-4-oxo-2-sulfanylidenepteridine-6-carboxylate Traditional Name: 7-amino-1,3-dibutyl-4-keto-2-thioxo-pteridine-6-carboxylic acid ethyl ester Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=S)CCCC)N=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=S)CCCC)N=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C17H25N5O3S/c1-4-7-9-21-14-12(15(23)22(17(21)26)10-8-5-2)19-11(13(18)20-14)16(24)25-6-3/h4-10H2,1-3H3,(H2,18,20)