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

Systemtic Name: 1-ethyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-ethyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-ethyl-6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-ethyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-ethyl-6-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H32N6O4S MolecularWeight: 536.64578

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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)CC)C5=CC=CC=C5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(NN(C4=N3)CC)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O4S/c1-4-17-37-22-12-11-20(38(35,36)32-15-13-31(3)14-16-32)18-21(22)25-28-26-23(27(34)29-25)24(30-33(26)5-2)19-9-7-6-8-10-19/h6-12,18,30H,4-5,13-17H2,1-3H3