7-butyl-8-(2,3-dihydroindol-1-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-(2,3-dihydroindol-1-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-(indolin-1-ylmethyl)purine-2,6-dione CAS Name: 7-butyl-8-(2,3-dihydroindol-1-ylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-(2,3-dihydroindol-1-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-(indolin-1-ylmethyl)xanthine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN4CCC5=CC=CC=C54

InChI

InChI=1S/C25H27N5O2/c1-2-3-14-29-21(17-28-15-13-19-11-7-8-12-20(19)28)26-23-22(29)24(31)27-25(32)30(23)16-18-9-5-4-6-10-18/h4-12H,2-3,13-17H2,1H3,(H,27,31,32)