6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(phenylmethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(phenylmethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzyl-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(phenylmethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-benzyl-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-benzyl-6-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C28H34N6O4S MolecularWeight: 550.67236

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

InChI

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