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

Systemtic Name: 3-methyl-1-[3-[(5-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]but-2-en-1-one Openeye Name: 1-[3-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]-3-methyl-but-2-en-1-one CAS Name: 1-[3-[(2-anilino-5-methyl-4-pyrimidinyl)amino]phenyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one Traditional Name: 1-[3-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]-3-methyl-but-2-en-1-one Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O/c1-15(2)12-20(27)17-8-7-11-19(13-17)24-21-16(3)14-23-22(26-21)25-18-9-5-4-6-10-18/h4-14H,1-3H3,(H2,23,24,25,26)