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

Systemtic Name: N-[4-[(5-bromanyl-4-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-3-(propan-2-ylamino)propanamide Openeye Name: N-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]-3-(isopropylamino)propanamide CAS Name: N-[4-[(4-anilino-5-bromo-2-pyrimidinyl)amino]phenyl]-3-(propan-2-ylamino)propanamide IUPAC Name: N-[4-[(4-anilino-5-bromopyrimidin-2-yl)amino]phenyl]-3-(propan-2-ylamino)propanamide Traditional Name: N-[4-[(4-anilino-5-bromo-pyrimidin-2-yl)amino]phenyl]-3-(isopropylamino)propionamide Formula: C22H25BrN6O MolecularWeight: 469.3775

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN6O/c1-15(2)24-13-12-20(30)26-17-8-10-18(11-9-17)28-22-25-14-19(23)21(29-22)27-16-6-4-3-5-7-16/h3-11,14-15,24H,12-13H2,1-2H3,(H,26,30)(H2,25,27,28,29)