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

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

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=S)C4=C(N3)C(=NN4C)CCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=S)C4=C(N3)C(=NN4C)CCC

InChI

InChI=1S/C23H31N5O4S2/c1-4-6-12-32-19-9-8-16(34(29,30)28-10-13-31-14-11-28)15-17(19)22-24-20-18(7-5-2)26-27(3)21(20)23(33)25-22/h8-9,15H,4-7,10-14H2,1-3H3,(H,24,25,33)