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

Systemtic Name: 3-methyl-7-nonyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(benzylamino)-3-methyl-7-nonyl-xanthine Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2/c1-3-4-5-6-7-8-12-15-27-18-19(26(2)22(29)25-20(18)28)24-21(27)23-16-17-13-10-9-11-14-17/h9-11,13-14H,3-8,12,15-16H2,1-2H3,(H,23,24)(H,25,28,29)