3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone CAS Name: 3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)-1-piperazinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)piperazin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[4-(7H-purin-6-yl)piperazino]methanone Formula: C17H16N8O MolecularWeight: 348.36194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C17H16N8O/c26-17(11-1-2-12-13(7-11)19-8-18-12)25-5-3-24(4-6-25)16-14-15(21-9-20-14)22-10-23-16/h1-2,7-10H,3-6H2,(H,18,19)(H,20,21,22,23)