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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H15ClN4O3/c1-12-9-14(7-8-15(12)19)26-18-16(23(24)25)17(21-11-22-18)20-10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,20,21,22)