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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyrimidin-4-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyrimidin-4-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-2-(4-pyrimidinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-2-(pyrimidin-4-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(4-pyrimidylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H36N8O4S MolecularWeight: 580.70164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=NC=NC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=NC=NC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

InChI

InChI=1S/C28H36N8O4S/c1-4-7-23-25-26(33-36(23)18-20-10-11-29-19-30-20)28(37)32-27(31-25)22-17-21(8-9-24(22)40-16-5-2)41(38,39)35-14-12-34(6-3)13-15-35/h8-11,17,19H,4-7,12-16,18H2,1-3H3,(H,31,32,37)