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

Systemtic Name: 3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-[3-(2-methylindolin-1-yl)-3-oxo-propyl]-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-[3-keto-3-(2-methylindolin-1-yl)propyl]xanthine Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3C(CC4=CC=CC=C43)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N3C(CC4=CC=CC=C43)C

InChI

InChI=1S/C26H35N5O3/c1-4-6-10-16-29-21(27-24-23(29)25(33)28-26(34)30(24)15-7-5-2)13-14-22(32)31-18(3)17-19-11-8-9-12-20(19)31/h8-9,11-12,18H,4-7,10,13-17H2,1-3H3,(H,28,33,34)