[4-[(5-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate

Systemtic Name: [4-[(5-methyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate Openeye Name: [4-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [4-[(2-anilino-5-methyl-4-pyrimidinyl)amino]phenyl]methyl ester IUPAC Name: [4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-[(2-anilino-5-methyl-pyrimidin-4-yl)amino]benzyl] ester Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCC1=CC=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=CC=C3

Isomeric SMILES

C/C=C/C(=O)OCC1=CC=C(C=C1)NC2=NC(=NC=C2C)NC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2/c1-3-7-20(27)28-15-17-10-12-19(13-11-17)24-21-16(2)14-23-22(26-21)25-18-8-5-4-6-9-18/h3-14H,15H2,1-2H3,(H2,23,24,25,26)/b7-3+