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

Systemtic Name: (E)-1-[3-(5-methyl-2-phenylazanyl-pyrimidin-4-yl)oxyphenyl]but-2-en-1-one Openeye Name: (E)-1-[3-(2-anilino-5-methyl-pyrimidin-4-yl)oxyphenyl]but-2-en-1-one CAS Name: (E)-1-[3-[(2-anilino-5-methyl-4-pyrimidinyl)oxy]phenyl]-2-buten-1-one IUPAC Name: (E)-1-[3-(2-anilino-5-methylpyrimidin-4-yl)oxyphenyl]but-2-en-1-one Traditional Name: (E)-1-[3-(2-anilino-5-methyl-pyrimidin-4-yl)oxyphenyl]but-2-en-1-one Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C1=CC(=CC=C1)OC2=NC(=NC=C2C)NC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)C1=CC(=CC=C1)OC2=NC(=NC=C2C)NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O2/c1-3-8-19(25)16-9-7-12-18(13-16)26-20-15(2)14-22-21(24-20)23-17-10-5-4-6-11-17/h3-14H,1-2H3,(H,22,23,24)/b8-3+