N2-[3-(dimethylamino)propyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2-[3-(dimethylamino)propyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N4-benzyl-N2-[3-(dimethylamino)propyl]-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-[3-(dimethylamino)propyl]-5-nitro-N4-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 4-N-benzyl-2-N-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: 3-[[4-amino-6-(benzylamino)-5-nitro-pyrimidin-2-yl]amino]propyl-dimethyl-amine Formula: C16H23N7O2 MolecularWeight: 345.39952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CN(C)CCCNC1=NC(=C(C(=N1)NCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C16H23N7O2/c1-22(2)10-6-9-18-16-20-14(17)13(23(24)25)15(21-16)19-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H4,17,18,19,20,21)