6-(3-chloranyl-5-methoxy-phenoxy)-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3-chloranyl-5-methoxy-phenoxy)-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(3-chloro-5-methoxy-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3-chloro-5-methoxyphenoxy)-2-(methylthio)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(3-chloro-5-methoxyphenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(3-chloro-5-methoxy-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)SC)Cl

Isomeric SMILES

COC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)SC)Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-27-14-8-13(20)9-15(10-14)28-18-16(24(25)26)17(22-19(23-18)29-2)21-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,21,22,23)