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

Systemtic Name: 7-hexadecyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-hexadecyl-3-methyl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-hexadecyl-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-cetyl-3-methyl-xanthine Formula: C29H45N5O2 MolecularWeight: 495.6999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C29H45N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-25-26(33(2)29(36)32-27(25)35)31-28(34)30-23-24-20-17-16-18-21-24/h16-18,20-21H,3-15,19,22-23H2,1-2H3,(H,30,31)(H,32,35,36)