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

Systemtic Name: 4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3-pyridylmethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3-pyridinylmethyl)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3-pyridylmethyl)-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C29H37N7O4S MolecularWeight: 579.71358

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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(CCN4CCCC4)CC5=CN=CC=C5)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCN4CCCC4)CC5=CN=CC=C5)OCC)C

InChI

InChI=1S/C29H37N7O4S/c1-4-9-24-26-27(34(3)33-24)29(37)32-28(31-26)23-18-22(11-12-25(23)40-5-2)41(38,39)36(17-16-35-14-6-7-15-35)20-21-10-8-13-30-19-21/h8,10-13,18-19H,4-7,9,14-17,20H2,1-3H3,(H,31,32,37)