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

Systemtic Name: 4-butyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-4-butyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 4-butyl-2-(phenylmethyl)-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-4-butyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-4-butyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C17H18N6O MolecularWeight: 322.36442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2)N3C1=NC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2)N3C1=NC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C17H18N6O/c1-2-3-9-22-16(24)14-15(19-11-18-14)23-17(22)20-13(21-23)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,18,19)