1-methyl-5-[2-(3-methylbutoxy)-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione

Systemtic Name: 1-methyl-5-[2-(3-methylbutoxy)-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[2-isopentyloxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 1-methyl-5-[2-(3-methylbutoxy)-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 1-methyl-5-[2-(3-methylbutoxy)-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[2-isoamoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C25H36N6O3S2 MolecularWeight: 532.72174

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC(C)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC(C)C)C

InChI

InChI=1S/C25H36N6O3S2/c1-6-7-20-22-23(30(5)28-20)25(35)27-24(26-22)19-16-18(8-9-21(19)34-15-10-17(2)3)36(32,33)31-13-11-29(4)12-14-31/h8-9,16-17H,6-7,10-15H2,1-5H3,(H,26,27,35)