4-methyl-1-(2-oxidanyl-3-phenoxy-propyl)-3-propan-2-ylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione

Systemtic Name: 4-methyl-1-(2-oxidanyl-3-phenoxy-propyl)-3-propan-2-ylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-(2-hydroxy-3-phenoxy-propyl)-3-isopropylsulfanyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-4-methyl-3-(propan-2-ylthio)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)-4-methyl-3-propan-2-ylsulfanylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)-3-(isopropylthio)-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN(C2=C1N(C(=O)NC2=O)C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)SC1=NN(C2=C1N(C(=O)NC2=O)C)CC(COC3=CC=CC=C3)O

InChI

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