6-(4-chloranyl-3-methyl-phenoxy)-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-(3-methylbutyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-isopentyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-(3-methylbutyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-isoamyl-amine Formula: C16H19ClN4O3 MolecularWeight: 350.80006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC(C)C)Cl

InChI

InChI=1S/C16H19ClN4O3/c1-10(2)6-7-18-15-14(21(22)23)16(20-9-19-15)24-12-4-5-13(17)11(3)8-12/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20)