6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-(1-phenylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC(C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H17ClN4O3/c1-12-10-15(8-9-16(12)20)27-19-17(24(25)26)18(21-11-22-19)23-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)