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

Systemtic Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-3-oxidanylidene-1-benzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-3-oxo-benzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-3-oxo-7-benzofuranyl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-3-oxo-1-benzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[3-keto-5-(4-methylpiperazino)sulfonyl-coumaran-7-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCC4=O)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCC4=O)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C22H26N6O5S/c1-4-5-16-18-19(27(3)25-16)22(30)24-21(23-18)15-11-13(10-14-17(29)12-33-20(14)15)34(31,32)28-8-6-26(2)7-9-28/h10-11H,4-9,12H2,1-3H3,(H,23,24,30)