1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 3,7-diisobutyl-1-[2-(2-methylindolin-1-yl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 3,7-diisobutyl-1-[2-keto-2-(2-methylindolin-1-yl)ethyl]xanthine Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C4=C(N=CN4CC(C)C)N(C3=O)CC(C)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C4=C(N=CN4CC(C)C)N(C3=O)CC(C)C

InChI

InChI=1S/C24H31N5O3/c1-15(2)11-26-14-25-22-21(26)23(31)28(24(32)27(22)12-16(3)4)13-20(30)29-17(5)10-18-8-6-7-9-19(18)29/h6-9,14-17H,10-13H2,1-5H3