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

Systemtic Name: N-[3-[[4-[(3-bromophenyl)amino]-5-methyl-pyrimidin-2-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[4-(3-bromoanilino)-5-methyl-pyrimidin-2-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[4-(3-bromoanilino)-5-methyl-2-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[4-(3-bromoanilino)-5-methylpyrimidin-2-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[4-(3-bromoanilino)-5-methyl-pyrimidin-2-yl]amino]phenyl]acrylamide Formula: C20H18BrN5O MolecularWeight: 424.29382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O/c1-3-18(27)23-16-8-5-9-17(11-16)25-20-22-12-13(2)19(26-20)24-15-7-4-6-14(21)10-15/h3-12H,1H2,2H3,(H,23,27)(H2,22,24,25,26)