7-dodecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 7-dodecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H30N4O2S/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-15(19-18(22)25)21(2)17(24)20-16(14)23/h3-13H2,1-2H3,(H,19,25)(H,20,23,24)