2-(phenylmethyl)-4-propan-2-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 2-(phenylmethyl)-4-propan-2-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-4-isopropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 2-(phenylmethyl)-4-propan-2-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-4-propan-2-yl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-4-isopropyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(N=CN2)N3C1=NC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=C(N=CN2)N3C1=NC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C16H16N6O/c1-10(2)21-15(23)13-14(18-9-17-13)22-16(21)19-12(20-22)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,18)