7-methyl-2-(2-oxidanyl-3-phenoxy-propyl)-3-propylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 7-methyl-2-(2-oxidanyl-3-phenoxy-propyl)-3-propylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)-7-methyl-3-propylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 2-(2-hydroxy-3-phenoxypropyl)-7-methyl-3-(propylthio)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)-7-methyl-3-propylsulfanylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 2-(2-hydroxy-3-phenoxy-propyl)-7-methyl-3-(propylthio)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=O)NC(=O)N(C2=NN1CC(COC3=CC=CC=C3)O)C

Isomeric SMILES

CCCSC1=C2C(=O)NC(=O)N(C2=NN1CC(COC3=CC=CC=C3)O)C

InChI

InChI=1S/C18H22N4O4S/c1-3-9-27-17-14-15(21(2)18(25)19-16(14)24)20-22(17)10-12(23)11-26-13-7-5-4-6-8-13/h4-8,12,23H,3,9-11H2,1-2H3,(H,19,24,25)