N2-cyclohexyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-cyclohexyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-cyclohexyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-cyclohexyl-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-cyclohexyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]-cyclohexyl-amine Formula: C17H22N6O2 MolecularWeight: 342.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

C1CCC(CC1)NC2=NC(=C(C(=N2)NCC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N6O2/c18-15-14(23(24)25)16(19-11-12-7-3-1-4-8-12)22-17(21-15)20-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H4,18,19,20,21,22)