[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C(C=C4N3)C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C(C=C4N3)C)C)CC

InChI

InChI=1S/C23H27N5O4/c1-5-7-8-28-20-19(21(29)26-23(28)31)27(6-2)18(25-20)12-32-22(30)17-11-15-14(4)9-13(3)10-16(15)24-17/h9-11,24H,5-8,12H2,1-4H3,(H,26,29,31)