3-methyl-1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one

Systemtic Name: 3-methyl-1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one Openeye Name: 3-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one CAS Name: 3-methyl-1-[3-[[6-(4-phenoxyanilino)-4-pyrimidinyl]amino]phenyl]-2-buten-1-one IUPAC Name: 3-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one Traditional Name: 3-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC(=CC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C27H24N4O2/c1-19(2)15-25(32)20-7-6-8-22(16-20)31-27-17-26(28-18-29-27)30-21-11-13-24(14-12-21)33-23-9-4-3-5-10-23/h3-18H,1-2H3,(H2,28,29,30,31)