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

Systemtic Name: 8-(azepan-1-yl)-2,6-bis(chloranyl)-7-(phenylmethyl)purine Openeye Name: 8-(azepan-1-yl)-7-benzyl-2,6-dichloro-purine CAS Name: 8-(1-azepanyl)-2,6-dichloro-7-(phenylmethyl)purine IUPAC Name: 8-(azepan-1-yl)-7-benzyl-2,6-dichloropurine Traditional Name: 8-(azepan-1-yl)-7-benzyl-2,6-dichloro-purine Formula: C18H19Cl2N5 MolecularWeight: 376.28296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=NC(=N3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC3=C(N2CC4=CC=CC=C4)C(=NC(=N3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N5/c19-15-14-16(22-17(20)21-15)23-18(24-10-6-1-2-7-11-24)25(14)12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2