5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(1-methylazetidin-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-methylazetidin-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-methylazetidin-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-methyl-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-methylazetidin-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-methylazetidin-3-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H38N8O4S MolecularWeight: 558.69612

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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)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

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

InChI

InChI=1S/C26H38N8O4S/c1-5-8-13-38-26-20(14-19(15-27-26)39(36,37)33-11-9-32(7-3)10-12-33)24-28-22-21(6-2)34(18-16-31(4)17-18)30-23(22)25(35)29-24/h14-15,18H,5-13,16-17H2,1-4H3,(H,28,29,35)