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

Systemtic Name: 3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-4-propoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: N-benzyl-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-4-propoxy-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: N-benzyl-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: N-benzyl-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-N-(2-pyrrolidinoethyl)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(CCN4CCCC4)CC5=CC=CC=C5)OCCC)C

Isomeric SMILES

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

InChI

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