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

Systemtic Name: 4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide Openeye Name: N-benzyl-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-[2-(1-piperidyl)ethyl]benzenesulfonamide CAS Name: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-N-[2-(1-piperidinyl)ethyl]benzenesulfonamide IUPAC Name: N-benzyl-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidin-1-ylethyl)benzenesulfonamide Traditional Name: N-benzyl-4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(2-piperidinoethyl)benzenesulfonamide Formula: C31H40N6O4S MolecularWeight: 592.7521

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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=C5)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCN4CCCCC4)CC5=CC=CC=C5)OCC)C

InChI

InChI=1S/C31H40N6O4S/c1-4-12-26-28-29(35(3)34-26)31(38)33-30(32-28)25-21-24(15-16-27(25)41-5-2)42(39,40)37(22-23-13-8-6-9-14-23)20-19-36-17-10-7-11-18-36/h6,8-9,13-16,21H,4-5,7,10-12,17-20,22H2,1-3H3,(H,32,33,38)