N2-(3-aminophenyl)-5-bromanyl-N4-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-2,4-diamine

Systemtic Name: N2-(3-aminophenyl)-5-bromanyl-N4-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-2,4-diamine Openeye Name: N2-(3-aminophenyl)-5-bromo-N4-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-2,4-diamine CAS Name: N2-(3-aminophenyl)-5-bromo-N4-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-aminophenyl)-5-bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidine-2,4-diamine Traditional Name: [2-(3-aminoanilino)-5-bromo-pyrimidin-4-yl]-[2-(1H-imidazol-5-yl)ethyl]amine Formula: C15H16BrN7 MolecularWeight: 374.23844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=C(C(=N2)NCCC3=CN=CN3)Br)N

InChI

InChI=1S/C15H16BrN7/c16-13-8-20-15(22-11-3-1-2-10(17)6-11)23-14(13)19-5-4-12-7-18-9-21-12/h1-3,6-9H,4-5,17H2,(H,18,21)(H2,19,20,22,23)