N-(3-bromophenyl)-2-chloranyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: N-(3-bromophenyl)-2-chloranyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-N-(3-bromophenyl)-2-chloro-purin-6-amine CAS Name: N-(3-bromophenyl)-2-chloro-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-N-(3-bromophenyl)-2-chloropurin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-(3-bromophenyl)amine Formula: C18H13BrClN5 MolecularWeight: 414.68632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)Br)Cl

InChI

InChI=1S/C18H13BrClN5/c19-13-7-4-8-14(9-13)22-16-15-17(24-18(20)23-16)25(11-21-15)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,22,23,24)