6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-propyl-3-(2-pyridinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-propyl-3-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H37N7O4S MolecularWeight: 579.71358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=N3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=N3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

InChI

InChI=1S/C29H37N7O4S/c1-4-13-36-28-26(24(33-36)19-21-9-7-8-12-30-21)29(37)32-27(31-28)23-20-22(10-11-25(23)40-18-5-2)41(38,39)35-16-14-34(6-3)15-17-35/h7-12,20,33H,4-6,13-19H2,1-3H3