6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxy-3-pyridinyl]-1-propyl-3-(2-pyrimidinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxypyridin-3-yl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-1-propyl-3-(2-pyrimidylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H35N9O4S MolecularWeight: 581.6897

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=NC=CC=N3)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=NC=CC=N3)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C27H35N9O4S/c1-4-10-36-25-23(21(33-36)17-22-28-8-7-9-29-22)26(37)32-24(31-25)20-16-19(18-30-27(20)40-15-5-2)41(38,39)35-13-11-34(6-3)12-14-35/h7-9,16,18,33H,4-6,10-15,17H2,1-3H3