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

Systemtic Name: 4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(3-oxidanylpropyl)-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-ethoxy-N-(3-hydroxypropyl)-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide CAS Name: 4-ethoxy-N-(3-hydroxypropyl)-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-ethoxy-N-(3-hydroxypropyl)-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide Traditional Name: N-benzyl-4-ethoxy-N-(3-hydroxypropyl)-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)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(CCCO)CC4=CC=CC=C4)OCC)C

Isomeric SMILES

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

InChI

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