O4-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl] ester O1-ethyl ester IUPAC Name: 4-O-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl] ester O1-ethyl ester Formula: C17H22N4O6 MolecularWeight: 378.37978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC(=O)OCC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C(=O)OCC)C

InChI

InChI=1S/C17H22N4O6/c1-4-6-9-21-15-14(16(24)19-17(21)25)20(3)11(18-15)10-27-13(23)8-7-12(22)26-5-2/h7-8H,4-6,9-10H2,1-3H3,(H,19,24,25)/b8-7+