4-[[4-azanyl-6-(phenethylamino)-1,3,5-triazin-2-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-[[4-azanyl-6-(phenethylamino)-1,3,5-triazin-2-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[[4-amino-6-(phenethylamino)-1,3,5-triazin-2-yl]amino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[[4-amino-6-(phenethylamino)-1,3,5-triazin-2-yl]amino]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[[4-amino-6-(phenethylamino)-1,3,5-triazin-2-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[[4-amino-6-(phenethylamino)-s-triazin-2-yl]amino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C21H21N9O2S MolecularWeight: 463.51554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)N

InChI

InChI=1S/C21H21N9O2S/c22-18-27-20(25-14-11-15-5-2-1-3-6-15)29-21(28-18)26-16-7-9-17(10-8-16)33(31,32)30-19-23-12-4-13-24-19/h1-10,12-13H,11,14H2,(H,23,24,30)(H4,22,25,26,27,28,29)