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

Systemtic Name: 7-ethyl-2-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-7-ethyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 7-ethyl-2-(phenylmethyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-7-ethyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-7-ethyl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC)N3C1=NC(=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC)N3C1=NC(=N3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N6O/c1-3-10-23-17(25)15-16(20-13(4-2)19-15)24-18(23)21-14(22-24)11-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,19,20)