1-methyl-8-(2-oxidanylpropylsulfanyl)-7-phenethyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-8-(2-oxidanylpropylsulfanyl)-7-phenethyl-3H-purine-2,6-dione Openeye Name: 8-(2-hydroxypropylsulfanyl)-1-methyl-7-phenethyl-3H-purine-2,6-dione CAS Name: 8-(2-hydroxypropylthio)-1-methyl-7-phenethyl-3H-purine-2,6-dione IUPAC Name: 8-(2-hydroxypropylsulfanyl)-1-methyl-7-phenethyl-3H-purine-2,6-dione Traditional Name: 8-(2-hydroxypropylthio)-1-methyl-7-phenethyl-xanthine Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2)C)O

Isomeric SMILES

CC(CSC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2)C)O

InChI

InChI=1S/C17H20N4O3S/c1-11(22)10-25-17-19-14-13(15(23)20(2)16(24)18-14)21(17)9-8-12-6-4-3-5-7-12/h3-7,11,22H,8-10H2,1-2H3,(H,18,24)