7-dodecyl-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-dodecyl-3-methyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-7-lauryl-3-methyl-xanthine Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H34N4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-25-17-18(22-21(25)29-15-16(2)26)24(3)20(28)23-19(17)27/h4-15H2,1-3H3,(H,23,27,28)