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

Systemtic Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(4-nitrophenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-2-(4-nitrophenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-2-(4-nitrophenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-2-(4-nitrophenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-2-(4-nitrophenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C29H35N7O6S MolecularWeight: 609.6965

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)CC)OCCC

InChI

InChI=1S/C29H35N7O6S/c1-4-7-24-26-27(32-35(24)20-8-10-21(11-9-20)36(38)39)29(37)31-28(30-26)23-19-22(12-13-25(23)42-18-5-2)43(40,41)34-16-14-33(6-3)15-17-34/h8-13,19H,4-7,14-18H2,1-3H3,(H,30,31,37)