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

Systemtic Name: N6-cycloheptyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-cycloheptyl-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-cycloheptyl-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3CCCCCC3

InChI

InChI=1S/C19H25N5O2/c1-23(13-15-9-5-4-6-10-15)19-17(24(25)26)18(20-14-21-19)22-16-11-7-2-3-8-12-16/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3,(H,20,21,22)