3-methyl-7-(2-oxidanylpropyl)-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanylpropyl)-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-(2-hydroxypropyl)-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-(2-hydroxypropyl)-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-(2-hydroxypropyl)-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-(2-hydroxypropyl)-3-methyl-8-(propylthio)xanthine Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3S/c1-4-5-20-12-13-9-8(16(12)6-7(2)17)10(18)14-11(19)15(9)3/h7,17H,4-6H2,1-3H3,(H,14,18,19)