3-(4-tert-butylphenyl)-5-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 3-(4-tert-butylphenyl)-5-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 3-(4-tert-butylphenyl)-5-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 3-(4-tert-butylphenyl)-5-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 3-(4-tert-butylphenyl)-5-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 3-(4-tert-butylphenyl)-5-methyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C16H18N4O MolecularWeight: 282.34032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1C(=NN2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=O)N=C2N1C(=NN2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C16H18N4O/c1-10-9-13(21)17-15-19-18-14(20(10)15)11-5-7-12(8-6-11)16(2,3)4/h5-9H,1-4H3,(H,17,19,21)