8-[(E)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-octyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-[(E)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-octyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-octyl-4,5-dihydropurine-2,6-dione CAS Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-7-octyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-octyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-7-octyl-4,5-dihydropurine-2,6-quinone Formula: C18H29ClN4O2S MolecularWeight: 400.96646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2C(N=C1SC/C=C(\C)/Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29ClN4O2S/c1-4-5-6-7-8-9-11-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-12-10-13(2)19/h10,14-15H,4-9,11-12H2,1-3H3,(H,21,24,25)/b13-10+