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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3)Cl

InChI

InChI=1S/C17H15ClN4O3S/c1-11-9-12(4-5-14(11)18)25-17-15(22(23)24)16(20-10-21-17)19-7-6-13-3-2-8-26-13/h2-5,8-10H,6-7H2,1H3,(H,19,20,21)