6-(azepan-1-yl)-N-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(5-chloro-2-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(5-chloro-2-methyl-phenyl)amine Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C17H20ClN5O2/c1-12-6-7-13(18)10-14(12)21-16-15(23(24)25)17(20-11-19-16)22-8-4-2-3-5-9-22/h6-7,10-11H,2-5,8-9H2,1H3,(H,19,20,21)