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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC3=CC=CC=C3

InChI

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