N-[3-[(6-chloranylpyrimidin-4-yl)amino]-4-methyl-phenyl]-3-(dimethylamino)benzamide

Systemtic Name: N-[3-[(6-chloranylpyrimidin-4-yl)amino]-4-methyl-phenyl]-3-(dimethylamino)benzamide Openeye Name: N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methyl-phenyl]-3-(dimethylamino)benzamide CAS Name: N-[3-[(6-chloro-4-pyrimidinyl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide IUPAC Name: N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-(dimethylamino)benzamide Traditional Name: N-[3-[(6-chloropyrimidin-4-yl)amino]-4-methyl-phenyl]-3-(dimethylamino)benzamide Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC3=CC(=NC=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC3=CC(=NC=N3)Cl

InChI

InChI=1S/C20H20ClN5O/c1-13-7-8-15(10-17(13)25-19-11-18(21)22-12-23-19)24-20(27)14-5-4-6-16(9-14)26(2)3/h4-12H,1-3H3,(H,24,27)(H,22,23,25)