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

Systemtic Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(3-oxidanylidenebutan-2-yl)purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(1-methyl-2-oxo-propyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-(3-oxobutan-2-yl)purine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-oxobutan-2-yl)purine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-7-(2-keto-1-methyl-propyl)-1,3-dimethyl-xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O3/c1-13(14(2)26)25-16(12-22(3)11-15-9-7-6-8-10-15)21-18-17(25)19(27)24(5)20(28)23(18)4/h6-10,13H,11-12H2,1-5H3