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

Systemtic Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-pyridin-3-yl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-3-pyridyl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxy-3-pyridinyl]-2-(2-pyrimidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxypyridin-3-yl]-2-pyrimidin-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-methyl-6-[5-(4-methylpiperazino)sulfonyl-2-propoxy-3-pyridyl]-2-(2-pyrimidyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H27N9O4S MolecularWeight: 525.58338

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N(NC3=N2)C4=NC=CC=N4)C)S(=O)(=O)N5CCN(CC5)C

Isomeric SMILES

CCCOC1=NC=C(C=C1C2=NC(=O)C3=C(N(NC3=N2)C4=NC=CC=N4)C)S(=O)(=O)N5CCN(CC5)C

InChI

InChI=1S/C23H27N9O4S/c1-4-12-36-22-17(13-16(14-26-22)37(34,35)31-10-8-30(3)9-11-31)19-27-20-18(21(33)28-19)15(2)32(29-20)23-24-6-5-7-25-23/h5-7,13-14H,4,8-12H2,1-3H3,(H,27,28,29,33)