4-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-pyridin-3-yl]-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridyl]-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-[2-ethoxy-5-[(4-ethyl-1-piperazinyl)sulfonyl]-3-pyridinyl]-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]benzonitrile IUPAC Name: 4-[5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridin-3-yl]-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-[2-ethoxy-5-(4-ethylpiperazino)sulfonyl-3-pyridyl]-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]benzonitrile Formula: C27H30N8O4S MolecularWeight: 562.6433

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NN1C3=CC=C(C=C3)C#N)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CC

Isomeric SMILES

CCC1=C2C(=NN1C3=CC=C(C=C3)C#N)C(=O)N=C(N2)C4=CC(=CN=C4OCC)S(=O)(=O)N5CCN(CC5)CC

InChI

InChI=1S/C27H30N8O4S/c1-4-22-23-24(32-35(22)19-9-7-18(16-28)8-10-19)26(36)31-25(30-23)21-15-20(17-29-27(21)39-6-3)40(37,38)34-13-11-33(5-2)12-14-34/h7-10,15,17H,4-6,11-14H2,1-3H3,(H,30,31,36)