3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(4-pyridylmethyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(pyridin-4-ylmethyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(4-pyridylmethyl)benzamide Formula: C23H19BrN6O MolecularWeight: 475.34056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC=NC=C4

InChI

InChI=1S/C23H19BrN6O/c24-18-4-2-6-20(12-18)30-22-13-21(27-15-28-22)29-19-5-1-3-17(11-19)23(31)26-14-16-7-9-25-10-8-16/h1-13,15H,14H2,(H,26,31)(H2,27,28,29,30)