7-[(E)-3-chloranylbut-2-enyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(nonylthio)xanthine Formula: C19H29ClN4O2S MolecularWeight: 412.97716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H29ClN4O2S/c1-4-5-6-7-8-9-10-13-27-19-21-16-15(24(19)12-11-14(2)20)17(25)22-18(26)23(16)3/h11H,4-10,12-13H2,1-3H3,(H,22,25,26)/b14-11+