3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)-4-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)-4-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-piperidyl)ethyl]-4-propoxy-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-piperidinyl)ethyl]-4-propoxy-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)-4-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidinoethyl)-4-propoxy-N-(2-pyridylmethyl)benzenesulfonamide Formula: C31H41N7O4S MolecularWeight: 607.76674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCN4CCCCC4)CC5=CC=CC=N5)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCN4CCCCC4)CC5=CC=CC=N5)OCCC)C

InChI

InChI=1S/C31H41N7O4S/c1-4-11-26-28-29(36(3)35-26)31(39)34-30(33-28)25-21-24(13-14-27(25)42-20-5-2)43(40,41)38(22-23-12-7-8-15-32-23)19-18-37-16-9-6-10-17-37/h7-8,12-15,21H,4-6,9-11,16-20,22H2,1-3H3,(H,33,34,39)