5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-N-methyl-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]-N-methyl-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]-N-methyl-7-oxo-1-(3-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-N-methyl-7-oxo-1-(3-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-N-methyl-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-N-methyl-1-(3-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidine-3-carboxamide Formula: C28H34N8O5S MolecularWeight: 594.68516

Click to see the large picture

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)NC

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)NC

InChI

InChI=1S/C28H34N8O5S/c1-4-15-41-22-9-8-20(42(39,40)35-13-11-34(5-2)12-14-35)16-21(22)26-31-23-24(27(37)29-3)33-36(25(23)28(38)32-26)18-19-7-6-10-30-17-19/h6-10,16-17H,4-5,11-15,18H2,1-3H3,(H,29,37)(H,31,32,38)