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

Systemtic Name: 2-(phenylmethyl)-7-piperazin-1-yl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 2-benzyl-7-piperazin-1-yl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 2-(phenylmethyl)-7-(1-piperazinyl)-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 2-benzyl-7-piperazin-1-yl-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 2-benzyl-7-piperazino-4-propyl-6H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C20H24N8O MolecularWeight: 392.45756

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)N3CCNCC3)N4C1=NC(=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)N3CCNCC3)N4C1=NC(=N4)CC5=CC=CC=C5

InChI

InChI=1S/C20H24N8O/c1-2-10-27-18(29)16-17(24-19(23-16)26-11-8-21-9-12-26)28-20(27)22-15(25-28)13-14-6-4-3-5-7-14/h3-7,21H,2,8-13H2,1H3,(H,23,24)