6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4O3/c1-12-8-15(9-13(2)16(12)20)27-19-17(24(25)26)18(22-11-23-19)21-10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)