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

Systemtic Name: 6-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(2,4-dimethoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(2,4-dimethoxyphenyl)amine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3)OC

InChI

InChI=1S/C18H23N5O4/c1-26-13-7-8-14(15(11-13)27-2)21-17-16(23(24)25)18(20-12-19-17)22-9-5-3-4-6-10-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,19,20,21)