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

Systemtic Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 1-(2-indolin-1-yl-2-oxo-ethyl)-3,7-diisobutyl-purine-2,6-dione CAS Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-(2-indolin-1-yl-2-keto-ethyl)-3,7-diisobutyl-xanthine Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)CC(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H29N5O3/c1-15(2)11-25-14-24-21-20(25)22(30)28(23(31)27(21)12-16(3)4)13-19(29)26-10-9-17-7-5-6-8-18(17)26/h5-8,14-16H,9-13H2,1-4H3