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

Systemtic Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxy-3-pyridinyl]-1-propyl-3-(2-pyrimidinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxypyridin-3-yl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(4-methylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-1-propyl-3-(2-pyrimidylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H33N9O4S MolecularWeight: 567.66312

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=NC=CC=N3)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=NC=CC=N3)C4=CC(=CN=C4OCCC)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C26H33N9O4S/c1-4-9-35-24-22(20(32-35)16-21-27-7-6-8-28-21)25(36)31-23(30-24)19-15-18(17-29-26(19)39-14-5-2)40(37,38)34-12-10-33(3)11-13-34/h6-8,15,17,32H,4-5,9-14,16H2,1-3H3