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

Systemtic Name: 4-methyl-1-(2-oxidanyl-3-phenoxy-propyl)-3-prop-2-enylsulfanyl-pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 3-allylsulfanyl-1-(2-hydroxy-3-phenoxy-propyl)-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-4-methyl-3-(prop-2-enylthio)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)-4-methyl-3-prop-2-enylsulfanylpyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 3-(allylthio)-1-(2-hydroxy-3-phenoxy-propyl)-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(N=C2SCC=C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(N=C2SCC=C)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C18H20N4O4S/c1-3-9-27-17-15-14(16(24)19-18(25)21(15)2)22(20-17)10-12(23)11-26-13-7-5-4-6-8-13/h3-8,12,23H,1,9-11H2,2H3,(H,19,24,25)