N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide

Systemtic Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide CAS Name: N-[4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Traditional Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-2-methyl-1,3-benzothiazole-6-sulfonamide Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)N=C(S4)C)N(C)C

InChI

InChI=1S/C21H22N6O2S2/c1-13-11-20(27(3)4)25-21(22-13)24-15-5-7-16(8-6-15)26-31(28,29)17-9-10-18-19(12-17)30-14(2)23-18/h5-12,26H,1-4H3,(H,22,24,25)