diethyl 2-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)but-2-enedioate

Systemtic Name: diethyl 2-(2-acetamido-6-oxidanylidene-3H-purin-9-yl)but-2-enedioate Openeye Name: diethyl 2-(2-acetamido-6-oxo-3H-purin-9-yl)but-2-enedioate CAS Name: 2-(2-acetamido-6-oxo-3H-purin-9-yl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl 2-(2-acetamido-6-oxo-3H-purin-9-yl)but-2-enedioate Traditional Name: 2-(2-acetamido-6-keto-3H-purin-9-yl)but-2-enedioic acid diethyl ester Formula: C15H17N5O6 MolecularWeight: 363.32538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C1NC(=NC2=O)NC(=O)C

Isomeric SMILES

CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C1NC(=NC2=O)NC(=O)C

InChI

InChI=1S/C15H17N5O6/c1-4-25-10(22)6-9(14(24)26-5-2)20-7-16-11-12(20)18-15(17-8(3)21)19-13(11)23/h6-7H,4-5H2,1-3H3,(H2,17,18,19,21,23)