4-ethyl-7-phenyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 4-ethyl-7-phenyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-4-ethyl-7-phenyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 4-ethyl-7-phenyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-4-ethyl-7-phenyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-4-ethyl-7-phenyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C21H18N6O MolecularWeight: 370.40722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N4C1=NC(=N4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N4C1=NC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C21H18N6O/c1-2-26-20(28)17-19(24-18(23-17)15-11-7-4-8-12-15)27-21(26)22-16(25-27)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,23,24)