5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-propyl-1-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-1-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-propyl-1-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H31N7O4S MolecularWeight: 537.63384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC)CC5=CC=CC=N5

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC)CC5=CC=CC=N5

InChI

InChI=1S/C26H31N7O4S/c1-4-7-21-23-24(33(30-21)17-18-8-5-6-11-27-18)26(34)29-25(28-23)20-16-19(9-10-22(20)37-3)38(35,36)32-14-12-31(2)13-15-32/h5-6,8-11,16H,4,7,12-15,17H2,1-3H3,(H,28,29,34)