N4-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[3-(dimethylamino)-2,2-dimethylpropyl]-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]-2,2-dimethyl-propyl]-dimethyl-amine Formula: C18H26N6O2 MolecularWeight: 358.43804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)CN(C)C

Isomeric SMILES

CC(C)(CNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=CC=C2)CN(C)C

InChI

InChI=1S/C18H26N6O2/c1-18(2,12-23(3)4)11-20-17-15(24(25)26)16(21-13-22-17)19-10-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H2,19,20,21,22)