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

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2,4-dimethoxy-phenyl)-N4-cycloheptyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-N4-cycloheptyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2,4-dimethoxyphenyl)-4-N-cycloheptyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-cycloheptyl-amine Formula: C19H24ClN5O4 MolecularWeight: 421.87796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H24ClN5O4/c1-28-15-10-16(29-2)14(9-13(15)20)24-19-17(25(26)27)18(21-11-22-19)23-12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H2,21,22,23,24)