6-(3,4-dimethylphenoxy)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: benzyl-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H18N4O3 MolecularWeight: 350.37122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)C

InChI

InChI=1S/C19H18N4O3/c1-13-8-9-16(10-14(13)2)26-19-17(23(24)25)18(21-12-22-19)20-11-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,20,21,22)