6-(3,4-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3,4-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-p-anisyl-amine Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-13-4-7-17(10-14(13)2)28-20-18(24(25)26)19(22-12-23-20)21-11-15-5-8-16(27-3)9-6-15/h4-10,12H,11H2,1-3H3,(H,21,22,23)