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

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-isobutyl-3-methyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N5O2/c1-12(2)10-23-14-15(22(4)18(25)20-16(14)24)19-17(23)21(3)11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,20,24,25)