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

Systemtic Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-nonyl-purine-2,6-dione Openeye Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-nonyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl]-7-nonylpurine-2,6-dione IUPAC Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-nonylpurine-2,6-dione Traditional Name: 8-[[benzyl(methyl)amino]methyl]-1,3-dimethyl-7-nonyl-xanthine Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H37N5O2/c1-5-6-7-8-9-10-14-17-30-21(19-27(2)18-20-15-12-11-13-16-20)26-23-22(30)24(31)29(4)25(32)28(23)3/h11-13,15-16H,5-10,14,17-19H2,1-4H3