5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-2-(1-ethanoylazetidin-3-yl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-2-(1-ethanoylazetidin-3-yl)-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-(1-acetylazetidin-3-yl)-5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2-(1-acetyl-3-azetidinyl)-5-[2-butoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 2-(1-acetylazetidin-3-yl)-5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-(1-acetylazetidin-3-yl)-5-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H38N8O5S MolecularWeight: 586.70622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)C)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)C)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C27H38N8O5S/c1-5-8-13-40-27-21(14-20(15-28-27)41(38,39)34-11-9-32(7-3)10-12-34)25-29-23-22(6-2)35(31-24(23)26(37)30-25)19-16-33(17-19)18(4)36/h14-15,19H,5-13,16-17H2,1-4H3,(H,29,30,37)