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

Systemtic Name: 7-dodecyl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-lauryl-3-methyl-xanthine Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H39N5O2/c1-4-5-6-7-8-9-10-11-12-16-19-31-22-23(30(3)26(33)28-24(22)32)27-25(31)29(2)20-21-17-14-13-15-18-21/h13-15,17-18H,4-12,16,19-20H2,1-3H3,(H,28,32,33)