1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-benzyl-3-isobutyl-1-methyl-xanthine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c1-12(2)9-21-15-14(16(22)19(3)17(21)23)20(11-18-15)10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3