N-[(4-bromophenyl)methyl]pyrimidin-5-amine; 1-phenylethanone

Systemtic Name: N-[(4-bromophenyl)methyl]pyrimidin-5-amine; 1-phenylethanone Openeye Name: N-[(4-bromophenyl)methyl]pyrimidin-5-amine; 1-phenylethanone CAS Name: N-[(4-bromophenyl)methyl]-5-pyrimidinamine; 1-phenylethanone IUPAC Name: N-[(4-bromophenyl)methyl]pyrimidin-5-amine; 1-phenylethanone Traditional Name: acetophenone; (4-bromobenzyl)-(5-pyrimidyl)amine Formula: C19H18BrN3O MolecularWeight: 384.26972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.C1=CC(=CC=C1CNC2=CN=CN=C2)Br

Isomeric SMILES

CC(=O)C1=CC=CC=C1.C1=CC(=CC=C1CNC2=CN=CN=C2)Br

InChI

InChI=1S/C11H10BrN3.C8H8O/c12-10-3-1-9(2-4-10)5-15-11-6-13-8-14-7-11;1-7(9)8-5-3-2-4-6-8/h1-4,6-8,15H,5H2;2-6H,1H3