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

Systemtic Name: 2-methyl-1-[3-[[6-[(4-phenoxyphenyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-en-1-one Openeye Name: 2-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-en-1-one CAS Name: 2-methyl-1-[3-[[6-(4-phenoxyanilino)-4-pyrimidinyl]amino]phenyl]-2-propen-1-one IUPAC Name: 2-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-en-1-one Traditional Name: 2-methyl-1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]phenyl]prop-2-en-1-one Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O2/c1-18(2)26(31)19-7-6-8-21(15-19)30-25-16-24(27-17-28-25)29-20-11-13-23(14-12-20)32-22-9-4-3-5-10-22/h3-17H,1H2,2H3,(H2,27,28,29,30)