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

Systemtic Name: N-(2-hydroxyethyl)-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-4-propoxy-benzenesulfonamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-benzenesulfonamide CAS Name: N-(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)-4-propoxybenzenesulfonamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-benzenesulfonamide Formula: C27H33N5O5S MolecularWeight: 539.64642

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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(CCO)CC4=CC=CC=C4)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N(CCO)CC4=CC=CC=C4)OCCC)C

InChI

InChI=1S/C27H33N5O5S/c1-4-9-22-24-25(31(3)30-22)27(34)29-26(28-24)21-17-20(12-13-23(21)37-16-5-2)38(35,36)32(14-15-33)18-19-10-7-6-8-11-19/h6-8,10-13,17,33H,4-5,9,14-16,18H2,1-3H3,(H,28,29,34)