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

Systemtic Name: 5-[2-(methoxymethyl)-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-(methoxymethyl)-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-(methoxymethyl)-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-(methoxymethyl)-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-(methoxymethyl)-5-(4-methylpiperazino)sulfonyl-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H30N6O4S MolecularWeight: 474.5764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)COC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)COC)C

InChI

InChI=1S/C22H30N6O4S/c1-5-6-18-19-20(27(3)25-18)22(29)24-21(23-19)17-13-16(8-7-15(17)14-32-4)33(30,31)28-11-9-26(2)10-12-28/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,23,24,29)