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

Systemtic Name: 2-chloranyl-N-(3-nitrophenyl)-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-2-chloro-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-chloro-N-(3-nitrophenyl)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-2-chloro-N-(3-nitrophenyl)purin-6-amine Traditional Name: (9-benzyl-2-chloro-purin-6-yl)-(3-nitrophenyl)amine Formula: C18H13ClN6O2 MolecularWeight: 380.78782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN6O2/c19-18-22-16(21-13-7-4-8-14(9-13)25(26)27)15-17(23-18)24(11-20-15)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,21,22,23)