7-(2-methylpropyl)-3-(phenylmethyl)-1-(quinolin-8-ylmethyl)purine-2,6-dione

Systemtic Name: 7-(2-methylpropyl)-3-(phenylmethyl)-1-(quinolin-8-ylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isobutyl-1-(8-quinolylmethyl)purine-2,6-dione CAS Name: 7-(2-methylpropyl)-3-(phenylmethyl)-1-(8-quinolinylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(2-methylpropyl)-1-(quinolin-8-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isobutyl-1-(8-quinolylmethyl)xanthine Formula: C26H25N5O2 MolecularWeight: 439.509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H25N5O2/c1-18(2)14-29-17-28-24-23(29)25(32)31(26(33)30(24)15-19-8-4-3-5-9-19)16-21-11-6-10-20-12-7-13-27-22(20)21/h3-13,17-18H,14-16H2,1-2H3