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

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-(phenylmethyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-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]-1-(phenylmethyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-benzyl-5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-benzyl-5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C28H34N6O4S MolecularWeight: 550.67236

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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)OCC)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H34N6O4S/c1-4-9-23-25-26(34(31-23)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)