5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(1-azepanylsulfonyl)-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[5-(azepan-1-ylsulfonyl)-2-ethoxy-phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H31N5O4S MolecularWeight: 473.58834

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)N4CCCCCC4)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OCC)C

InChI

InChI=1S/C23H31N5O4S/c1-4-10-18-20-21(27(3)26-18)23(29)25-22(24-20)17-15-16(11-12-19(17)32-5-2)33(30,31)28-13-8-6-7-9-14-28/h11-12,15H,4-10,13-14H2,1-3H3,(H,24,25,29)