3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(pyrazin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(pyrazin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(pyrazin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-2-(2-pyrazinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-(pyrazin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-2-(pyrazin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H34N8O4S MolecularWeight: 566.67506

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=NC=CN=C5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=NN(C(=C4N3)CC)CC5=NC=CN=C5

InChI

InChI=1S/C27H34N8O4S/c1-4-15-39-23-8-7-20(40(37,38)34-13-11-33(6-3)12-14-34)16-21(23)26-30-24-22(5-2)35(32-25(24)27(36)31-26)18-19-17-28-9-10-29-19/h7-10,16-17H,4-6,11-15,18H2,1-3H3,(H,30,31,36)