4-[[4-(2-acetamidoethylamino)-5-bromanyl-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(2-acetamidoethylamino)-5-bromanyl-pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(2-acetamidoethylamino)-5-bromo-pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(2-acetamidoethylamino)-5-bromo-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-(2-acetamidoethylamino)-5-bromopyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(2-acetamidoethylamino)-5-bromo-pyrimidin-2-yl]amino]benzamide Formula: C15H17BrN6O2 MolecularWeight: 393.23848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC=C1Br)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC=C1Br)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C15H17BrN6O2/c1-9(23)18-6-7-19-14-12(16)8-20-15(22-14)21-11-4-2-10(3-5-11)13(17)24/h2-5,8H,6-7H2,1H3,(H2,17,24)(H,18,23)(H2,19,20,21,22)