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

Systemtic Name: 7-heptyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-heptyl-3-methyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H27N5O2/c1-3-4-5-6-10-13-25-16-17(24(2)20(27)23-18(16)26)22-19(25)21-14-15-11-8-7-9-12-15/h7-9,11-12H,3-6,10,13-14H2,1-2H3,(H,21,22)(H,23,26,27)