1,3-dimethyl-7-prop-2-enyl-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-prop-2-enyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-enyl-8-(propylthio)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(propylthio)xanthine Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCSC1=NC2=C(N1CC=C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18N4O2S/c1-5-7-17-9-10(14-12(17)20-8-6-2)15(3)13(19)16(4)11(9)18/h5H,1,6-8H2,2-4H3