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

Systemtic Name: O4-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl] ester O1-ethyl ester IUPAC Name: 4-O-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl] ester O1-ethyl ester Formula: C18H24N4O6 MolecularWeight: 392.40636

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6/c1-4-7-10-22-16-15(17(25)20-18(22)26)21(5-2)12(19-16)11-28-14(24)9-8-13(23)27-6-3/h8-9H,4-7,10-11H2,1-3H3,(H,20,25,26)/b9-8+