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

Systemtic Name: 1-methyl-5-[(2R)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1-benzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[(2R)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydrobenzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[(2R)-2-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]-2,3-dihydrobenzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[(2R)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1-benzofuran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[(2R)-2-methyl-5-(4-methylpiperazino)sulfonyl-coumaran-7-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H30N6O4S MolecularWeight: 486.5871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3O[C@@H](C4)C)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C23H30N6O4S/c1-5-6-18-19-20(28(4)26-18)23(30)25-22(24-19)17-13-16(12-15-11-14(2)33-21(15)17)34(31,32)29-9-7-27(3)8-10-29/h12-14H,5-11H2,1-4H3,(H,24,25,30)/t14-/m1/s1