3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide

Systemtic Name: 3-[[6-[(3-bromophenyl)amino]pyrimidin-4-yl]amino]-N-(2-oxidanylpropyl)benzamide Openeye Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide CAS Name: 3-[[6-(3-bromoanilino)-4-pyrimidinyl]amino]-N-(2-hydroxypropyl)benzamide IUPAC Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide Traditional Name: 3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]-N-(2-hydroxypropyl)benzamide Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)O

Isomeric SMILES

CC(CNC(=O)C1=CC(=CC=C1)NC2=CC(=NC=N2)NC3=CC(=CC=C3)Br)O

InChI

InChI=1S/C20H20BrN5O2/c1-13(27)11-22-20(28)14-4-2-6-16(8-14)25-18-10-19(24-12-23-18)26-17-7-3-5-15(21)9-17/h2-10,12-13,27H,11H2,1H3,(H,22,28)(H2,23,24,25,26)