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

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-[[methyl-(phenylmethyl)amino]methyl]purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-[[methyl-(phenylmethyl)amino]methyl]purine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-7-isoamyl-1,3-dimethyl-xanthine Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-15(2)11-12-26-17(14-23(3)13-16-9-7-6-8-10-16)22-19-18(26)20(27)25(5)21(28)24(19)4/h6-10,15H,11-14H2,1-5H3