(E)-1-[3-[(5-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]but-2-en-1-one

Systemtic Name: (E)-1-[3-[(5-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]but-2-en-1-one Openeye Name: (E)-1-[3-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]but-2-en-1-one CAS Name: (E)-1-[3-[(2-anilino-5-methyl-4-pyrimidinyl)amino]phenyl]-2-buten-1-one IUPAC Name: (E)-1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]but-2-en-1-one Traditional Name: (E)-1-[3-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]but-2-en-1-one Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2C)NC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)C1=CC(=CC=C1)NC2=NC(=NC=C2C)NC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O/c1-3-8-19(26)16-9-7-12-18(13-16)23-20-15(2)14-22-21(25-20)24-17-10-5-4-6-11-17/h3-14H,1-2H3,(H2,22,23,24,25)/b8-3+