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

Systemtic Name: 4-methyl-3-(3-methylbutylsulfanyl)-1-(2-oxidanyl-3-phenoxy-propyl)pyrazolo[4,3-d]pyrimidine-5,7-dione Openeye Name: 1-(2-hydroxy-3-phenoxy-propyl)-3-isopentylsulfanyl-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-dione CAS Name: 1-(2-hydroxy-3-phenoxypropyl)-4-methyl-3-(3-methylbutylthio)pyrazolo[4,3-d]pyrimidine-5,7-dione IUPAC Name: 1-(2-hydroxy-3-phenoxypropyl)-4-methyl-3-(3-methylbutylsulfanyl)pyrazolo[4,3-d]pyrimidine-5,7-dione Traditional Name: 1-(2-hydroxy-3-phenoxy-propyl)-3-(isoamylthio)-4-methyl-pyrazolo[4,3-d]pyrimidine-5,7-quinone Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN(C2=C1N(C(=O)NC2=O)C)CC(COC3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCSC1=NN(C2=C1N(C(=O)NC2=O)C)CC(COC3=CC=CC=C3)O

InChI

InChI=1S/C20H26N4O4S/c1-13(2)9-10-29-19-17-16(18(26)21-20(27)23(17)3)24(22-19)11-14(25)12-28-15-7-5-4-6-8-15/h4-8,13-14,25H,9-12H2,1-3H3,(H,21,26,27)