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

Systemtic Name: 5-[2-ethoxy-5-(4-ethylpiperidin-1-yl)sulfonyl-phenyl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[(4-ethyl-1-piperidyl)sulfonyl]phenyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-ethyl-1-piperidinyl)sulfonyl]phenyl]-3-ethyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-ethylpiperidin-1-yl)sulfonylphenyl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-ethylpiperidino)sulfonyl-phenyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H34N6O4S MolecularWeight: 550.67236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=CC=CC=N5

Isomeric SMILES

CCC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=CC=CC=N5

InChI

InChI=1S/C28H34N6O4S/c1-4-19-12-15-33(16-13-19)39(36,37)21-10-11-24(38-6-3)22(17-21)27-30-25-23(5-2)34(32-26(25)28(35)31-27)18-20-9-7-8-14-29-20/h7-11,14,17,19H,4-6,12-13,15-16,18H2,1-3H3,(H,30,31,35)