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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-pentylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-(pentylthio)purine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-3-methyl-8-pentylsulfanylpurine-2,6-dione Traditional Name: 8-(amylthio)-7-[(E)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C15H21ClN4O2S MolecularWeight: 356.87084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCSC1=NC2=C(N1C/C=C(\C)/Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H21ClN4O2S/c1-4-5-6-9-23-15-17-12-11(20(15)8-7-10(2)16)13(21)18-14(22)19(12)3/h7H,4-6,8-9H2,1-3H3,(H,18,21,22)/b10-7+