N-(4-iodophenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-iodophenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-iodophenyl)-6-(4-methylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-iodophenyl)-6-(4-methylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-iodophenyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-iodophenyl)-[6-(4-methylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C17H13IN4O3 MolecularWeight: 448.21459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

CC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H13IN4O3/c1-11-2-8-14(9-3-11)25-17-15(22(23)24)16(19-10-20-17)21-13-6-4-12(18)5-7-13/h2-10H,1H3,(H,19,20,21)