N4-cycloheptyl-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3

InChI

InChI=1S/C19H25N5O3/c1-27-16-10-8-14(9-11-16)12-20-18-17(24(25)26)19(22-13-21-18)23-15-6-4-2-3-5-7-15/h8-11,13,15H,2-7,12H2,1H3,(H2,20,21,22,23)