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

Systemtic Name: 3-methyl-7-nonyl-8-(2-oxidanylidenepropylsulfanyl)purine-2,6-dione Openeye Name: 8-acetonylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-(2-oxopropylthio)purine-2,6-dione IUPAC Name: 3-methyl-7-nonyl-8-(2-oxopropylsulfanyl)purine-2,6-dione Traditional Name: 8-(acetonylthio)-3-methyl-7-nonyl-xanthine Formula: C18H28N4O3S MolecularWeight: 380.50492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SCC(=O)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H28N4O3S/c1-4-5-6-7-8-9-10-11-22-14-15(19-18(22)26-12-13(2)23)21(3)17(25)20-16(14)24/h4-12H2,1-3H3,(H,20,24,25)