N6-(2,3-dimethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(2,3-dimethylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O2/c1-14-8-7-11-17(15(14)2)23-19-18(25(26)27)20(22-13-21-19)24(3)12-16-9-5-4-6-10-16/h4-11,13H,12H2,1-3H3,(H,21,22,23)