1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CC(=C)CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2/c1-14(2)11-25-16(13-22(3)12-15-9-7-6-8-10-15)21-18-17(25)19(26)24(5)20(27)23(18)4/h6-10H,1,11-13H2,2-5H3