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

Systemtic Name: 2-chloranyl-N-(3-nitrophenyl)-9-propan-2-yl-purin-6-amine Openeye Name: 2-chloro-9-isopropyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-chloro-N-(3-nitrophenyl)-9-propan-2-yl-6-purinamine IUPAC Name: 2-chloro-N-(3-nitrophenyl)-9-propan-2-ylpurin-6-amine Traditional Name: (2-chloro-9-isopropyl-purin-6-yl)-(3-nitrophenyl)amine Formula: C14H13ClN6O2 MolecularWeight: 332.74502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN6O2/c1-8(2)20-7-16-11-12(18-14(15)19-13(11)20)17-9-4-3-5-10(6-9)21(22)23/h3-8H,1-2H3,(H,17,18,19)