6-(azepan-1-yl)-N2-(3-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: 6-(azepan-1-yl)-N2-(3-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: 6-(azepan-1-yl)-N2-(3-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: 6-(1-azepanyl)-N2-(3-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 6-(azepan-1-yl)-2-N-(3-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(azepan-1-yl)-5-nitro-pyrimidin-2-yl]-(3-chlorophenyl)amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=CC=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC(=N2)NC3=CC(=CC=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN6O2/c17-11-6-5-7-12(10-11)19-16-20-14(18)13(23(24)25)15(21-16)22-8-3-1-2-4-9-22/h5-7,10H,1-4,8-9H2,(H3,18,19,20,21)