N-(4-butylphenyl)-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-5-nitro-6-propan-2-yloxy-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-6-isopropoxy-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-5-nitro-6-propan-2-yloxy-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-5-nitro-6-propan-2-yloxypyrimidin-4-amine Traditional Name: (4-butylphenyl)-(6-isopropoxy-5-nitro-pyrimidin-4-yl)amine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3/c1-4-5-6-13-7-9-14(10-8-13)20-16-15(21(22)23)17(19-11-18-16)24-12(2)3/h7-12H,4-6H2,1-3H3,(H,18,19,20)