5-[5-[4-(2-azanylethyl)piperazin-1-yl]sulfonyl-2-(2-methoxyethoxy)pyridin-3-yl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-[4-(2-azanylethyl)piperazin-1-yl]sulfonyl-2-(2-methoxyethoxy)pyridin-3-yl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-[4-(2-aminoethyl)piperazin-1-yl]sulfonyl-2-(2-methoxyethoxy)-3-pyridyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[[4-(2-aminoethyl)-1-piperazinyl]sulfonyl]-2-(2-methoxyethoxy)-3-pyridinyl]-3-ethyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-[4-(2-aminoethyl)piperazin-1-yl]sulfonyl-2-(2-methoxyethoxy)pyridin-3-yl]-3-ethyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-[4-(2-aminoethyl)piperazino]sulfonyl-2-(2-methoxyethoxy)-3-pyridyl]-3-ethyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H35N9O5S MolecularWeight: 597.6891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCCOC)S(=O)(=O)N5CCN(CC5)CCN

Isomeric SMILES

CCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=CC(=CN=C4OCCOC)S(=O)(=O)N5CCN(CC5)CCN

InChI

InChI=1S/C27H35N9O5S/c1-3-22-23-24(33-36(22)18-19-6-4-5-8-29-19)26(37)32-25(31-23)21-16-20(17-30-27(21)41-15-14-40-2)42(38,39)35-12-10-34(9-7-28)11-13-35/h4-6,8,16-17H,3,7,9-15,18,28H2,1-2H3,(H,31,32,37)