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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-5-6-10-13-26-17(15-23(2)14-16-11-8-7-9-12-16)22-19-18(26)20(27)25(4)21(28)24(19)3/h7-9,11-12H,5-6,10,13-15H2,1-4H3