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

Systemtic Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(phenylmethoxymethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-(benzyloxymethyl)-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-(phenylmethoxymethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(phenylmethoxymethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzoxymethyl)-6-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H36N6O5S MolecularWeight: 580.69834

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)COCC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)COCC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

InChI

InChI=1S/C29H36N6O5S/c1-4-13-35-28-26(24(32-35)20-39-19-21-9-7-6-8-10-21)29(36)31-27(30-28)23-18-22(11-12-25(23)40-5-2)41(37,38)34-16-14-33(3)15-17-34/h6-12,18,32H,4-5,13-17,19-20H2,1-3H3