3-ethyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-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-phenyl]-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-phenyl]-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H33N7O4S MolecularWeight: 551.66042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=CC=CC=N5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=CC=CC=N5

InChI

InChI=1S/C27H33N7O4S/c1-4-16-38-23-10-9-20(39(36,37)33-14-12-32(3)13-15-33)17-21(23)26-29-24-22(5-2)34(31-25(24)27(35)30-26)18-19-8-6-7-11-28-19/h6-11,17H,4-5,12-16,18H2,1-3H3,(H,29,30,35)