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

Systemtic Name: 1-[3-[(5-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-en-1-one Openeye Name: 1-[3-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]prop-2-en-1-one CAS Name: 1-[3-[(2-anilino-5-methyl-4-pyrimidinyl)amino]phenyl]-2-propen-1-one IUPAC Name: 1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]prop-2-en-1-one Traditional Name: 1-[3-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]prop-2-en-1-one Formula: C20H18N4O MolecularWeight: 330.38312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O/c1-3-18(25)15-8-7-11-17(12-15)22-19-14(2)13-21-20(24-19)23-16-9-5-4-6-10-16/h3-13H,1H2,2H3,(H2,21,22,23,24)