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

Systemtic Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-propyl-1-(pyrimidin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-propyl-1-(pyrimidin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-propyl-1-(2-pyrimidinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-propyl-1-(pyrimidin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-propyl-1-(2-pyrimidylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H33N9O4S MolecularWeight: 567.66312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC)CC5=NC=CC=N5

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCC)S(=O)(=O)N4CCN(CC4)CC)CC5=NC=CC=N5

InChI

InChI=1S/C26H33N9O4S/c1-4-8-20-22-23(35(32-20)17-21-27-9-7-10-28-21)25(36)31-24(30-22)19-15-18(16-29-26(19)39-6-3)40(37,38)34-13-11-33(5-2)12-14-34/h7,9-10,15-16H,4-6,8,11-14,17H2,1-3H3,(H,30,31,36)