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

Systemtic Name: N-(4-butoxyphenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(1-imidazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-imidazol-1-yl-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C17H18N6O3/c1-2-3-10-26-14-6-4-13(5-7-14)21-16-15(23(24)25)17(20-11-19-16)22-9-8-18-12-22/h4-9,11-12H,2-3,10H2,1H3,(H,19,20,21)