5-methyl-6-(3-methylbutyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-6-(3-methylbutyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-isopentyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-6-(3-methylbutyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-6-(3-methylbutyl)-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-isoamyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C17H20N4O MolecularWeight: 296.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CC=C3)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CC=C3)CCC(C)C

InChI

InChI=1S/C17H20N4O/c1-11(2)9-10-14-12(3)18-17-19-15(20-21(17)16(14)22)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,18,19,20)