3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-(2-pyridinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-(pyridin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-1-(2-pyridylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H31N7O4S MolecularWeight: 537.63384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(NN(C4=N3)CC5=CC=CC=N5)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(NN(C4=N3)CC5=CC=CC=N5)C

InChI

InChI=1S/C26H31N7O4S/c1-4-15-37-22-9-8-20(38(35,36)32-13-11-31(3)12-14-32)16-21(22)24-28-25-23(26(34)29-24)18(2)30-33(25)17-19-7-5-6-10-27-19/h5-10,16,30H,4,11-15,17H2,1-3H3