4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C22H28N6O2S MolecularWeight: 440.56172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)N

InChI

InChI=1S/C22H28N6O2S/c1-4-28(5-2)31(29,30)19-13-11-18(12-14-19)26-21-20(23)22(25-16-24-21)27(3)15-17-9-7-6-8-10-17/h6-14,16H,4-5,15,23H2,1-3H3,(H,24,25,26)