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

Systemtic Name: 7-[(E)-but-2-enyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione Openeye Name: 7-[(E)-but-2-enyl]-3-methyl-8-nonylsulfanyl-purine-2,6-dione CAS Name: 7-[(E)-but-2-enyl]-3-methyl-8-(nonylthio)purine-2,6-dione IUPAC Name: 7-[(E)-but-2-enyl]-3-methyl-8-nonylsulfanylpurine-2,6-dione Traditional Name: 7-[(E)-but-2-enyl]-3-methyl-8-(nonylthio)xanthine Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-4-6-8-9-10-11-12-14-26-19-20-16-15(23(19)13-7-5-2)17(24)21-18(25)22(16)3/h5,7H,4,6,8-14H2,1-3H3,(H,21,24,25)/b7-5+