N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-prop-1-en-2-yl-benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-prop-1-en-2-yl-benzamide Openeye Name: 4-isopropenyl-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 4-(1-methylethenyl)-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-prop-1-en-2-ylbenzamide Traditional Name: 4-isopropenyl-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=C)C)NC3=NC=CC(=N3)C4=CN=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=C)C)NC3=NC=CC(=N3)C4=CN=CN=C4

InChI

InChI=1S/C25H22N6O/c1-16(2)18-5-7-19(8-6-18)24(32)29-21-9-4-17(3)23(12-21)31-25-28-11-10-22(30-25)20-13-26-15-27-14-20/h4-15H,1H2,2-3H3,(H,29,32)(H,28,30,31)