N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H20N4O5/c1-13(2)14-3-6-16(7-4-14)30-21-19(25(26)27)20(22-12-23-21)24-15-5-8-17-18(11-15)29-10-9-28-17/h3-8,11-13H,9-10H2,1-2H3,(H,22,23,24)