N-[3-[(2-chloranylpyrimidin-4-yl)amino]-4-methyl-phenyl]-3-morpholin-4-yl-benzamide

Systemtic Name: N-[3-[(2-chloranylpyrimidin-4-yl)amino]-4-methyl-phenyl]-3-morpholin-4-yl-benzamide Openeye Name: N-[3-[(2-chloropyrimidin-4-yl)amino]-4-methyl-phenyl]-3-morpholino-benzamide CAS Name: N-[3-[(2-chloro-4-pyrimidinyl)amino]-4-methylphenyl]-3-(4-morpholinyl)benzamide IUPAC Name: N-[3-[(2-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-morpholin-4-ylbenzamide Traditional Name: N-[3-[(2-chloropyrimidin-4-yl)amino]-4-methyl-phenyl]-3-morpholino-benzamide Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCOCC3)NC4=NC(=NC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCOCC3)NC4=NC(=NC=C4)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-15-5-6-17(14-19(15)26-20-7-8-24-22(23)27-20)25-21(29)16-3-2-4-18(13-16)28-9-11-30-12-10-28/h2-8,13-14H,9-12H2,1H3,(H,25,29)(H,24,26,27)