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

Systemtic Name: 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-(phenylmethyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-benzyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-(phenylmethyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-benzyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-benzyl-5-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C29H36N6O4S MolecularWeight: 564.69894

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCCC)CC5=CC=CC=C5

InChI

InChI=1S/C29H36N6O4S/c1-4-9-24-26-27(35(32-24)20-21-10-7-6-8-11-21)29(36)31-28(30-26)23-19-22(12-13-25(23)39-18-5-2)40(37,38)34-16-14-33(3)15-17-34/h6-8,10-13,19H,4-5,9,14-18,20H2,1-3H3,(H,30,31,36)