1-methyl-5-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propoxy-pyridin-3-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propoxy-pyridin-3-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[2-propoxy-5-[4-(p-tolylsulfonyl)piperazin-1-yl]-3-pyridyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-propoxy-3-pyridinyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-propoxypyridin-3-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[2-propoxy-5-(4-tosylpiperazino)-3-pyridyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H35N7O4S MolecularWeight: 565.687

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCCC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CN=C3OCCC)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)C

InChI

InChI=1S/C28H35N7O4S/c1-5-7-23-24-25(33(4)32-23)27(36)31-26(30-24)22-17-20(18-29-28(22)39-16-6-2)34-12-14-35(15-13-34)40(37,38)21-10-8-19(3)9-11-21/h8-11,17-18H,5-7,12-16H2,1-4H3,(H,30,31,36)