N-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]-4-(4,6-dimethoxypyrimidin-2-yl)aniline

Systemtic Name: N-[(4-chloranyl-2-methylsulfonyl-phenyl)methyl]-4-(4,6-dimethoxypyrimidin-2-yl)aniline Openeye Name: N-[(4-chloro-2-methylsulfonyl-phenyl)methyl]-4-(4,6-dimethoxypyrimidin-2-yl)aniline CAS Name: N-[(4-chloro-2-methylsulfonylphenyl)methyl]-4-(4,6-dimethoxy-2-pyrimidinyl)aniline IUPAC Name: N-[(4-chloro-2-methylsulfonylphenyl)methyl]-4-(4,6-dimethoxypyrimidin-2-yl)aniline Traditional Name: (4-chloro-2-mesyl-benzyl)-[4-(4,6-dimethoxypyrimidin-2-yl)phenyl]amine Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C2=CC=C(C=C2)NCC3=C(C=C(C=C3)Cl)S(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C2=CC=C(C=C2)NCC3=C(C=C(C=C3)Cl)S(=O)(=O)C)OC

InChI

InChI=1S/C20H20ClN3O4S/c1-27-18-11-19(28-2)24-20(23-18)13-5-8-16(9-6-13)22-12-14-4-7-15(21)10-17(14)29(3,25)26/h4-11,22H,12H2,1-3H3