N-(2-aminophenyl)-4-[[[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]amino]methyl]benzamide

Systemtic Name: N-(2-aminophenyl)-4-[[[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]amino]methyl]benzamide Openeye Name: N-(2-aminophenyl)-4-[[[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]amino]methyl]benzamide CAS Name: N-(2-aminophenyl)-4-[[[4-(3,4-dimethoxyphenyl)-2-pyrimidinyl]amino]methyl]benzamide IUPAC Name: N-(2-aminophenyl)-4-[[[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]amino]methyl]benzamide Traditional Name: N-(2-aminophenyl)-4-[[[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]amino]methyl]benzamide Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)NCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)OC

InChI

InChI=1S/C26H25N5O3/c1-33-23-12-11-19(15-24(23)34-2)21-13-14-28-26(31-21)29-16-17-7-9-18(10-8-17)25(32)30-22-6-4-3-5-20(22)27/h3-15H,16,27H2,1-2H3,(H,30,32)(H,28,29,31)