5-bromanyl-N4-phenyl-N2-[4-[2-(propan-2-ylamino)ethylamino]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-phenyl-N2-[4-[2-(propan-2-ylamino)ethylamino]phenyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-[2-(isopropylamino)ethylamino]phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-phenyl-N2-[4-[2-(propan-2-ylamino)ethylamino]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-phenyl-2-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]pyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-[4-[2-(isopropylamino)ethylamino]phenyl]amine Formula: C21H25BrN6 MolecularWeight: 441.3674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCNC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)NCCNC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C21H25BrN6/c1-15(2)23-12-13-24-16-8-10-18(11-9-16)27-21-25-14-19(22)20(28-21)26-17-6-4-3-5-7-17/h3-11,14-15,23-24H,12-13H2,1-2H3,(H2,25,26,27,28)