N4-(3,4-dimethylphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3,4-dimethylphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine Openeye Name: N2-benzyl-N4-(3,4-dimethylphenyl)-N2-methyl-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3,4-dimethylphenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N-benzyl-4-N-(3,4-dimethylphenyl)-2-N-methyl-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3,4-dimethylanilino)-5-nitro-pyrimidin-2-yl]-benzyl-methyl-amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N(C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)N(C)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N6O2/c1-13-9-10-16(11-14(13)2)22-19-17(26(27)28)18(21)23-20(24-19)25(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H3,21,22,23,24)