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

Systemtic Name: 3-ethyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxy-3-pyridinyl]-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxypyridin-3-yl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-[5-(4-methylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H32N8O4S MolecularWeight: 552.64848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=CC=CC=N4)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CC4=CC=CC=N4)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C26H32N8O4S/c1-4-14-38-26-20(15-19(16-28-26)39(36,37)33-12-10-32(3)11-13-33)24-29-22-21(5-2)34(31-23(22)25(35)30-24)17-18-8-6-7-9-27-18/h6-9,15-16H,4-5,10-14,17H2,1-3H3,(H,29,30,35)