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

Systemtic Name: N4-(5-chloranyl-2-methyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(5-chloro-2-methyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(5-chloro-2-methylphenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(5-chloro-2-methylphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C15H18ClN5O3 MolecularWeight: 351.78812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C15H18ClN5O3/c1-10-4-5-11(16)8-12(10)20-15-13(21(22)23)14(18-9-19-15)17-6-3-7-24-2/h4-5,8-9H,3,6-7H2,1-2H3,(H2,17,18,19,20)