6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C18H17ClN4O3S/c1-11-8-13(9-12(2)15(11)19)26-18-16(23(24)25)17(21-10-22-18)20-6-5-14-4-3-7-27-14/h3-4,7-10H,5-6H2,1-2H3,(H,20,21,22)