6-(azepan-1-yl)-N-(2-chlorophenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(2-chlorophenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2-chlorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2-chlorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2-chlorophenyl)amine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=NC=N2)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O2/c17-12-7-3-4-8-13(12)20-15-14(22(23)24)16(19-11-18-15)21-9-5-1-2-6-10-21/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,19,20)