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

Systemtic Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-butoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-ethyl-2-(1-ethyl-3-azetidinyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-2-(1-ethylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H40N8O4S MolecularWeight: 572.7227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N8O4S/c1-5-9-14-39-27-21(15-20(16-28-27)40(37,38)34-12-10-32(7-3)11-13-34)25-29-23-22(6-2)35(19-17-33(8-4)18-19)31-24(23)26(36)30-25/h15-16,19H,5-14,17-18H2,1-4H3,(H,29,30,36)