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

Systemtic Name: 7-hexadecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C22H38N4O2S MolecularWeight: 422.62772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H38N4O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-19(23-22(26)29)25(2)21(28)24-20(18)27/h3-17H2,1-2H3,(H,23,29)(H,24,27,28)