5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-pyrimidin-2-yl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-pyrimidin-2-yl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3-propyl-2-pyrimidin-2-yl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-3-propyl-2-(2-pyrimidinyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-2-pyrimidin-2-yl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-3-propyl-2-(2-pyrimidyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C26H32N8O4S MolecularWeight: 552.64848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1C3=NC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1C3=NC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCCC

InChI

InChI=1S/C26H32N8O4S/c1-4-7-20-22-23(31-34(20)26-27-10-6-11-28-26)25(35)30-24(29-22)19-17-18(8-9-21(19)38-16-5-2)39(36,37)33-14-12-32(3)13-15-33/h6,8-11,17H,4-5,7,12-16H2,1-3H3,(H,29,30,35)