5-bromanyl-N2-(4-morpholin-4-ylphenyl)-N4-(1,2-oxazol-3-yl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-N2-(4-morpholin-4-ylphenyl)-N4-(1,2-oxazol-3-yl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-N4-isoxazol-3-yl-N2-(4-morpholinophenyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-N4-(3-isoxazolyl)-N2-[4-(4-morpholinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-(4-morpholin-4-ylphenyl)-4-N-(1,2-oxazol-3-yl)pyrimidine-2,4-diamine Traditional Name: [5-bromo-4-(isoxazol-3-ylamino)pyrimidin-2-yl]-(4-morpholinophenyl)amine Formula: C17H17BrN6O2 MolecularWeight: 417.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=NOC=C4)Br

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=NOC=C4)Br

InChI

InChI=1S/C17H17BrN6O2/c18-14-11-19-17(22-16(14)21-15-5-8-26-23-15)20-12-1-3-13(4-2-12)24-6-9-25-10-7-24/h1-5,8,11H,6-7,9-10H2,(H2,19,20,21,22,23)