4-[[(1,3,6-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(1,3,6-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(1,3,6-trimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(1,3,6-trimethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(1,3,6-trimethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(7-keto-1,3,6-trimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]methyl]benzenesulfonamide Formula: C15H18N6O3S MolecularWeight: 362.40682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C)NCC3=CC=C(C=C3)S(=O)(=O)N)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C)NCC3=CC=C(C=C3)S(=O)(=O)N)C

InChI

InChI=1S/C15H18N6O3S/c1-9-12-13(21(3)19-9)14(22)20(2)15(18-12)17-8-10-4-6-11(7-5-10)25(16,23)24/h4-7H,8H2,1-3H3,(H,17,18)(H2,16,23,24)