4-(azepin-1-yl)-1-(2-bromanyl-6-methyl-phenyl)-1,3,5-triazin-2-one

Systemtic Name: 4-(azepin-1-yl)-1-(2-bromanyl-6-methyl-phenyl)-1,3,5-triazin-2-one Openeye Name: 4-(azepin-1-yl)-1-(2-bromo-6-methyl-phenyl)-1,3,5-triazin-2-one CAS Name: 4-(1-azepinyl)-1-(2-bromo-6-methylphenyl)-1,3,5-triazin-2-one IUPAC Name: 4-(azepin-1-yl)-1-(2-bromo-6-methylphenyl)-1,3,5-triazin-2-one Traditional Name: 4-(azepin-1-yl)-1-(2-bromo-6-methyl-phenyl)-s-triazin-2-one Formula: C16H13BrN4O MolecularWeight: 357.20462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Br)N2C=NC(=NC2=O)N3C=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)Br)N2C=NC(=NC2=O)N3C=CC=CC=C3

InChI

InChI=1S/C16H13BrN4O/c1-12-7-6-8-13(17)14(12)21-11-18-15(19-16(21)22)20-9-4-2-3-5-10-20/h2-11H,1H3