N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(5-chloranyl-2,4-dimethoxy-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2,4-dimethoxy-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2,4-dimethoxyphenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C16H20ClN5O5 MolecularWeight: 397.8135

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC(=C(C=C2OC)OC)Cl

InChI

InChI=1S/C16H20ClN5O5/c1-25-6-4-5-18-15-14(22(23)24)16(20-9-19-15)21-11-7-10(17)12(26-2)8-13(11)27-3/h7-9H,4-6H2,1-3H3,(H2,18,19,20,21)