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

Systemtic Name: 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(hydroxymethyl)-1-(2-indolin-1-yl-2-oxo-ethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(2-indolin-1-yl-2-keto-ethyl)-8-methylol-7-propyl-xanthine Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCC4=CC=CC=C43)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N3CCC4=CC=CC=C43)N(C(=N2)CO)CCC

InChI

InChI=1S/C23H29N5O4/c1-3-5-12-27-21-20(26(11-4-2)18(15-29)24-21)22(31)28(23(27)32)14-19(30)25-13-10-16-8-6-7-9-17(16)25/h6-9,29H,3-5,10-15H2,1-2H3