3-methyl-7-(2-methylpropyl)-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(benzylamino)-7-isobutyl-3-methyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H21N5O2/c1-11(2)10-22-13-14(21(3)17(24)20-15(13)23)19-16(22)18-9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,19)(H,20,23,24)