6-(azepan-1-yl)-2-chloranyl-7-(phenylmethyl)purine

Systemtic Name: 6-(azepan-1-yl)-2-chloranyl-7-(phenylmethyl)purine Openeye Name: 6-(azepan-1-yl)-7-benzyl-2-chloro-purine CAS Name: 6-(1-azepanyl)-2-chloro-7-(phenylmethyl)purine IUPAC Name: 6-(azepan-1-yl)-7-benzyl-2-chloropurine Traditional Name: 6-(azepan-1-yl)-7-benzyl-2-chloro-purine Formula: C18H20ClN5 MolecularWeight: 341.8379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC3=C2N(C=N3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC3=C2N(C=N3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C18H20ClN5/c19-18-21-16-15(17(22-18)23-10-6-1-2-7-11-23)24(13-20-16)12-14-8-4-3-5-9-14/h3-5,8-9,13H,1-2,6-7,10-12H2