methyl 4-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]methyl]benzoate CAS Name: 4-[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]methyl]benzoate Traditional Name: 4-[[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]methyl]benzoic acid methyl ester Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)OC)NC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NCC2=CC=C(C=C2)C(=O)OC)NC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C25H23N5O2/c1-17-5-10-21(28-15-18-6-8-19(9-7-18)24(31)32-2)14-23(17)30-25-27-13-11-22(29-25)20-4-3-12-26-16-20/h3-14,16,28H,15H2,1-2H3,(H,27,29,30)