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

Systemtic Name: 7-dodecyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-lauryl-3-methyl-xanthine Formula: C25H37N5O2 MolecularWeight: 439.59358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C25H37N5O2/c1-3-4-5-6-7-8-9-10-11-15-18-30-21-22(29(2)25(32)28-23(21)31)27-24(30)26-19-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3,(H,26,27)(H,28,31,32)