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

Systemtic Name: 2-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 2-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-4-propyl-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:

CCCN1C(=O)C2=C(N=CN2)N3C1=NC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2)N3C1=NC(=N3)CC4=CC=CC=C4

InChI

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