1-methyl-5-[2-(2-methylpropoxy)-5-morpholin-4-ylsulfonyl-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione

Systemtic Name: 1-methyl-5-[2-(2-methylpropoxy)-5-morpholin-4-ylsulfonyl-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-(2-isobutoxy-5-morpholinosulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 1-methyl-5-[2-(2-methylpropoxy)-5-(4-morpholinylsulfonyl)phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 1-methyl-5-[2-(2-methylpropoxy)-5-morpholin-4-ylsulfonylphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-(2-isobutoxy-5-morpholinosulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C23H31N5O4S2 MolecularWeight: 505.65334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCC(C)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCC(C)C)C

InChI

InChI=1S/C23H31N5O4S2/c1-5-6-18-20-21(27(4)26-18)23(33)25-22(24-20)17-13-16(7-8-19(17)32-14-15(2)3)34(29,30)28-9-11-31-12-10-28/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,24,25,33)