3-methyl-8-[(4-methylphenyl)methylamino]-7-nonyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-nonyl-purine-2,6-dione Openeye Name: 3-methyl-7-nonyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-nonylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-nonylpurine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylbenzyl)amino]-7-nonyl-xanthine Formula: C23H33N5O2 MolecularWeight: 411.54042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H33N5O2/c1-4-5-6-7-8-9-10-15-28-19-20(27(3)23(30)26-21(19)29)25-22(28)24-16-18-13-11-17(2)12-14-18/h11-14H,4-10,15-16H2,1-3H3,(H,24,25)(H,26,29,30)