N-(4-butoxyphenyl)-6-ethoxy-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-6-ethoxy-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-ethoxy-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-ethoxy-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-ethoxy-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(6-ethoxy-5-nitro-pyrimidin-4-yl)amine Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-3-5-10-24-13-8-6-12(7-9-13)19-15-14(20(21)22)16(23-4-2)18-11-17-15/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)