4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]-N,N-diethyl-benzenesulfonamide Formula: C20H25N7O2S MolecularWeight: 427.5232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C20H25N7O2S/c1-3-27(4-2)30(28,29)17-9-7-16(8-10-17)26-20-18(21)19(24-14-25-20)23-13-15-6-5-11-22-12-15/h5-12,14H,3-4,13,21H2,1-2H3,(H2,23,24,25,26)