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

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-(phenylmethyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2-benzyl-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-(phenylmethyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 2-benzyl-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2-benzyl-5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-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=C2C(=NN1CC3=CC=CC=C3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H34N6O4S/c1-4-9-23-25-26(31-34(23)19-20-10-7-6-8-11-20)28(35)30-27(29-25)22-18-21(12-13-24(22)38-5-2)39(36,37)33-16-14-32(3)15-17-33/h6-8,10-13,18H,4-5,9,14-17,19H2,1-3H3,(H,29,30,35)