diethyl (Z)-2-(6-aminopurin-9-yl)but-2-enedioate

Systemtic Name: diethyl (Z)-2-(6-aminopurin-9-yl)but-2-enedioate Openeye Name: diethyl (Z)-2-(6-aminopurin-9-yl)but-2-enedioate CAS Name: (Z)-2-(6-aminopurin-9-yl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (Z)-2-(6-aminopurin-9-yl)but-2-enedioate Traditional Name: (Z)-2-adenin-9-ylbut-2-enedioic acid diethyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

CCOC(=O)/C=C(/C(=O)OCC)\N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C13H15N5O4/c1-3-21-9(19)5-8(13(20)22-4-2)18-7-17-10-11(14)15-6-16-12(10)18/h5-7H,3-4H2,1-2H3,(H2,14,15,16)/b8-5-