[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-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 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-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=C3)NC(=C4C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)NC(=C4C)C)CC

InChI

InChI=1S/C23H27N5O4/c1-5-7-10-28-20-19(21(29)26-23(28)31)27(6-2)18(25-20)12-32-22(30)15-8-9-17-16(11-15)13(3)14(4)24-17/h8-9,11,24H,5-7,10,12H2,1-4H3,(H,26,29,31)