N-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-3-(dimethylamino)propanamide

Systemtic Name: N-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-3-(dimethylamino)propanamide Openeye Name: N-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]-3-(dimethylamino)propanamide CAS Name: N-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenyl]-3-(dimethylamino)propanamide IUPAC Name: N-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenyl]-3-(dimethylamino)propanamide Traditional Name: N-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]-3-(dimethylamino)propionamide Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CN(C)CCC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C21H23BrN6O/c1-28(2)13-12-19(29)24-16-8-10-17(11-9-16)26-21-23-14-18(22)20(27-21)25-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,29)(H2,23,25,26,27)