diethyl (E)-2-(2-azanyl-1-ethanoyl-6-oxidanylidene-purin-9-yl)but-2-enedioate

Systemtic Name: diethyl (E)-2-(2-azanyl-1-ethanoyl-6-oxidanylidene-purin-9-yl)but-2-enedioate Openeye Name: diethyl (E)-2-(1-acetyl-2-amino-6-oxo-purin-9-yl)but-2-enedioate CAS Name: (E)-2-(1-acetyl-2-amino-6-oxo-9-purinyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-(1-acetyl-2-amino-6-oxopurin-9-yl)but-2-enedioate Traditional Name: (E)-2-(1-acetyl-2-amino-6-keto-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=C1N=C(N(C2=O)C(=O)C)N

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/N1C=NC2=C1N=C(N(C2=O)C(=O)C)N

InChI

InChI=1S/C15H17N5O6/c1-4-25-10(22)6-9(14(24)26-5-2)19-7-17-11-12(19)18-15(16)20(8(3)21)13(11)23/h6-7H,4-5H2,1-3H3,(H2,16,18)/b9-6+