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

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-pentyl-purine-2,6-dione Openeye Name: 3-methyl-7-pentyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-pentylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H25N5O2/c1-4-5-6-11-24-15-16(23(3)19(26)22-17(15)25)21-18(24)20-12-14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3,(H,20,21)(H,22,25,26)