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

Systemtic Name: 6-(azepan-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(4-butoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(4-butoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(4-butoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)-5-nitro-pyrimidin-4-yl]-(4-butoxyphenyl)amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C20H27N5O3/c1-2-3-14-28-17-10-8-16(9-11-17)23-19-18(25(26)27)20(22-15-21-19)24-12-6-4-5-7-13-24/h8-11,15H,2-7,12-14H2,1H3,(H,21,22,23)