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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(pyridin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(3-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-2-(3-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-2-(pyridin-3-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(3-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C29H37N7O4S MolecularWeight: 579.71358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CN=CC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CN=CC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

InChI

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