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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methylbutoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-isopentyloxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-(3-methylbutoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methylbutoxy)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-isoamoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidine-7-thione Formula: C26H38N6O3S2 MolecularWeight: 546.74832

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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)CC)OCCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H38N6O3S2/c1-6-8-21-23-24(30(5)29-21)26(36)28-25(27-23)20-17-19(9-10-22(20)35-16-11-18(3)4)37(33,34)32-14-12-31(7-2)13-15-32/h9-10,17-18H,6-8,11-16H2,1-5H3,(H,27,28,36)