1-(2-bromanyl-6-methyl-phenyl)-4-(prop-2-ynylamino)-1,3,5-triazin-2-one

Systemtic Name: 1-(2-bromanyl-6-methyl-phenyl)-4-(prop-2-ynylamino)-1,3,5-triazin-2-one Openeye Name: 1-(2-bromo-6-methyl-phenyl)-4-(prop-2-ynylamino)-1,3,5-triazin-2-one CAS Name: 1-(2-bromo-6-methylphenyl)-4-(prop-2-ynylamino)-1,3,5-triazin-2-one IUPAC Name: 1-(2-bromo-6-methylphenyl)-4-(prop-2-ynylamino)-1,3,5-triazin-2-one Traditional Name: 1-(2-bromo-6-methyl-phenyl)-4-(propargylamino)-s-triazin-2-one Formula: C13H11BrN4O MolecularWeight: 319.15664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Br)N2C=NC(=NC2=O)NCC#C

Isomeric SMILES

CC1=C(C(=CC=C1)Br)N2C=NC(=NC2=O)NCC#C

InChI

InChI=1S/C13H11BrN4O/c1-3-7-15-12-16-8-18(13(19)17-12)11-9(2)5-4-6-10(11)14/h1,4-6,8H,7H2,2H3,(H,15,17,19)