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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-3-pyridin-3-yl-2-(pyrimidin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-3-(3-pyridyl)-2-(pyrimidin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxy-3-pyridinyl]-3-(3-pyridinyl)-2-(2-pyrimidinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxypyridin-3-yl]-3-pyridin-3-yl-2-(pyrimidin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-3-(3-pyridyl)-2-(2-pyrimidylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C29H32N10O4S MolecularWeight: 616.69398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)C4=CN=CC=C4)CC5=NC=CC=N5)S(=O)(=O)N6CCN(CC6)CC

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)C4=CN=CC=C4)CC5=NC=CC=N5)S(=O)(=O)N6CCN(CC6)CC

InChI

InChI=1S/C29H32N10O4S/c1-3-15-43-29-22(16-21(18-33-29)44(41,42)38-13-11-37(4-2)12-14-38)27-34-24-25(28(40)35-27)36-39(19-23-31-9-6-10-32-23)26(24)20-7-5-8-30-17-20/h5-10,16-18H,3-4,11-15,19H2,1-2H3,(H,34,35,40)