5-bromanyl-N4-phenyl-N2-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N4-phenyl-N2-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-[3-(isopropylamino)propoxy]phenyl]-N4-phenyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-phenyl-N2-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-4-N-phenyl-2-N-[4-[3-(propan-2-ylamino)propoxy]phenyl]pyrimidine-2,4-diamine Traditional Name: (4-anilino-5-bromo-pyrimidin-2-yl)-[4-[3-(isopropylamino)propoxy]phenyl]amine Formula: C22H26BrN5O MolecularWeight: 456.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)NCCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C22H26BrN5O/c1-16(2)24-13-6-14-29-19-11-9-18(10-12-19)27-22-25-15-20(23)21(28-22)26-17-7-4-3-5-8-17/h3-5,7-12,15-16,24H,6,13-14H2,1-2H3,(H2,25,26,27,28)