6-(azepan-1-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(azepan-1-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2,3-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2,3-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-13-8-7-9-15(14(13)2)21-17-16(23(24)25)18(20-12-19-17)22-10-5-3-4-6-11-22/h7-9,12H,3-6,10-11H2,1-2H3,(H,19,20,21)