6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-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-phenyl]-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-phenyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-propyl-3-(2-pyrimidinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(2-pyrimidylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H36N8O4S MolecularWeight: 580.70164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N8O4S/c1-4-12-36-27-25(22(33-36)19-24-29-10-7-11-30-24)28(37)32-26(31-27)21-18-20(8-9-23(21)40-17-5-2)41(38,39)35-15-13-34(6-3)14-16-35/h7-11,18,33H,4-6,12-17,19H2,1-3H3