N4-cycloheptyl-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cycloheptyl-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(2,4-dimethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H25N5O4/c1-27-14-9-10-15(16(11-14)28-2)23-19-17(24(25)26)18(20-12-21-19)22-13-7-5-3-4-6-8-13/h9-13H,3-8H2,1-2H3,(H2,20,21,22,23)