5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7-oxidanylidene-1-(pyridin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7-oxidanylidene-1-(pyridin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-7-oxo-1-(3-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-7-oxo-1-(3-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-7-oxo-1-(pyridin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-7-keto-1-(3-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide Formula: C27H32N8O5S MolecularWeight: 580.65858

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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=C(N3)C(=NN4CC5=CN=CC=C5)C(=O)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=C(N3)C(=NN4CC5=CN=CC=C5)C(=O)N

InChI

InChI=1S/C27H32N8O5S/c1-3-14-40-21-8-7-19(41(38,39)34-12-10-33(4-2)11-13-34)15-20(21)26-30-22-23(25(28)36)32-35(24(22)27(37)31-26)17-18-6-5-9-29-16-18/h5-9,15-16H,3-4,10-14,17H2,1-2H3,(H2,28,36)(H,30,31,37)