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

Systemtic Name: N4-cycloheptyl-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cycloheptyl-N6-(4-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cycloheptyl-N6-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cycloheptyl-6-N-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: cycloheptyl-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-2-27-16-11-9-15(10-12-16)23-19-17(24(25)26)18(20-13-21-19)22-14-7-5-3-4-6-8-14/h9-14H,2-8H2,1H3,(H2,20,21,22,23)