1-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-4-methyl-3-methylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 1-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-4-methyl-3-methylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-methyl-3-methylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-4-methyl-3-(methylthio)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-4-methyl-3-methylsulfanylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-4-methyl-3-(methylthio)pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2SC)CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2SC)CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C16H17ClN4O4S/c1-20-13-12(14(23)18-16(20)24)21(19-15(13)26-2)7-10(22)8-25-11-5-3-9(17)4-6-11/h3-6,10,22H,7-8H2,1-2H3,(H,18,23,24)