N4-(4-iodophenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4-iodophenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-iodophenyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-iodophenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-iodophenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C15H16IN5O3 MolecularWeight: 441.22371

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)I

InChI

InChI=1S/C15H16IN5O3/c16-10-3-5-11(6-4-10)20-15-13(21(22)23)14(18-9-19-15)17-8-12-2-1-7-24-12/h3-6,9,12H,1-2,7-8H2,(H2,17,18,19,20)