N-[3-[[2-[(4-chlorophenyl)amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]prop-2-enamide

Systemtic Name: N-[3-[[2-[(4-chlorophenyl)amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[2-(4-chloroanilino)-5-methyl-pyrimidin-4-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[2-(4-chloroanilino)-5-methyl-4-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[2-(4-chloroanilino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[2-(4-chloroanilino)-5-methyl-pyrimidin-4-yl]amino]phenyl]acrylamide Formula: C20H18ClN5O MolecularWeight: 379.84282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC(=CC=C2)NC(=O)C=C)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC(=CC=C2)NC(=O)C=C)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O/c1-3-18(27)23-16-5-4-6-17(11-16)24-19-13(2)12-22-20(26-19)25-15-9-7-14(21)8-10-15/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)