1-methyl-5-[2-methyl-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-[2-methyl-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-[2-methyl-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-[2-methyl-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-[2-methyl-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-2-methyl-5-(4-methylpiperazino)sulfonyl-coumaran-7-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H28N6O5S MolecularWeight: 500.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OC(C4=O)C)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OC(C4=O)C)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C23H28N6O5S/c1-5-6-17-18-19(28(4)26-17)23(31)25-22(24-18)16-12-14(11-15-20(30)13(2)34-21(15)16)35(32,33)29-9-7-27(3)8-10-29/h11-13H,5-10H2,1-4H3,(H,24,25,31)