5-[2-butoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-2-(1-methylsulfonylpiperidin-4-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-methylsulfonylpiperidin-4-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-methylsulfonyl-4-piperidyl)-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-methylsulfonyl-4-piperidinyl)-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-methylsulfonylpiperidin-4-yl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-butoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-2-(1-mesyl-4-piperidyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H42N8O6S2 MolecularWeight: 650.81308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)S(=O)(=O)C)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CCN(CC4)S(=O)(=O)C)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C28H42N8O6S2/c1-5-8-17-42-28-22(18-21(19-29-28)44(40,41)35-15-13-33(7-3)14-16-35)26-30-24-23(6-2)36(32-25(24)27(37)31-26)20-9-11-34(12-10-20)43(4,38)39/h18-20H,5-17H2,1-4H3,(H,30,31,37)