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

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-(3-methoxypropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN4O4/c1-10-8-11(4-5-12(10)16)24-15-13(20(21)22)14(18-9-19-15)17-6-3-7-23-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18,19)