7-hexadecyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-hexadecyl-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-cetyl-8-(isobutylthio)-3-methyl-xanthine Formula: C26H46N4O2S MolecularWeight: 478.73404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H46N4O2S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-22-23(27-26(30)33-20-21(2)3)29(4)25(32)28-24(22)31/h21H,5-20H2,1-4H3,(H,28,31,32)