6-(azepan-1-yl)-N-[2,3-bis(chloranyl)phenyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-[2,3-bis(chloranyl)phenyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2,3-dichlorophenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2,3-dichlorophenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2,3-dichlorophenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2,3-dichlorophenyl)amine Formula: C16H17Cl2N5O2 MolecularWeight: 382.24448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl2N5O2/c17-11-6-5-7-12(13(11)18)21-15-14(23(24)25)16(20-10-19-15)22-8-3-1-2-4-9-22/h5-7,10H,1-4,8-9H2,(H,19,20,21)