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

Systemtic Name: 6-(azepan-1-yl)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(5-chloro-2,4-dimethoxy-phenyl)amine Formula: C18H22ClN5O4 MolecularWeight: 407.85138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)Cl)OC

InChI

InChI=1S/C18H22ClN5O4/c1-27-14-10-15(28-2)13(9-12(14)19)22-17-16(24(25)26)18(21-11-20-17)23-7-5-3-4-6-8-23/h9-11H,3-8H2,1-2H3,(H,20,21,22)