5-[2-ethoxy-5-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-[4-(o-tolyl)piperazin-1-yl]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[[4-(2-methylphenyl)-1-piperazinyl]sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-[4-(o-tolyl)piperazino]sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H34N6O4S MolecularWeight: 550.67236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5C)OCC)C

InChI

InChI=1S/C28H34N6O4S/c1-5-9-22-25-26(32(4)31-22)28(35)30-27(29-25)21-18-20(12-13-24(21)38-6-2)39(36,37)34-16-14-33(15-17-34)23-11-8-7-10-19(23)3/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,29,30,35)