3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-(2-methylindolin-1-yl)-3-oxo-propyl]purine-2,6-dione CAS Name: 3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-keto-3-(2-methylindolin-1-yl)propyl]xanthine Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3C(CC4=CC=CC=C43)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3C(CC4=CC=CC=C43)C)CC(C)C

InChI

InChI=1S/C25H33N5O3/c1-5-6-13-28-23-22(24(32)27-25(28)33)29(15-16(2)3)20(26-23)11-12-21(31)30-17(4)14-18-9-7-8-10-19(18)30/h7-10,16-17H,5-6,11-15H2,1-4H3,(H,27,32,33)