5-(2-azanylpyrimidin-4-yl)-2-(3-bromanyl-2-methyl-phenyl)-1H-pyrrole-3-carboxamide

Systemtic Name: 5-(2-azanylpyrimidin-4-yl)-2-(3-bromanyl-2-methyl-phenyl)-1H-pyrrole-3-carboxamide Openeye Name: 5-(2-aminopyrimidin-4-yl)-2-(3-bromo-2-methyl-phenyl)-1H-pyrrole-3-carboxamide CAS Name: 5-(2-amino-4-pyrimidinyl)-2-(3-bromo-2-methylphenyl)-1H-pyrrole-3-carboxamide IUPAC Name: 5-(2-aminopyrimidin-4-yl)-2-(3-bromo-2-methylphenyl)-1H-pyrrole-3-carboxamide Traditional Name: 5-(2-aminopyrimidin-4-yl)-2-(3-bromo-2-methyl-phenyl)-1H-pyrrole-3-carboxamide Formula: C16H14BrN5O MolecularWeight: 372.21926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Br)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1Br)C2=C(C=C(N2)C3=NC(=NC=C3)N)C(=O)N

InChI

InChI=1S/C16H14BrN5O/c1-8-9(3-2-4-11(8)17)14-10(15(18)23)7-13(21-14)12-5-6-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)