5-nitro-6-(4-propan-2-ylphenoxy)-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-(4-propan-2-ylphenoxy)-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C19H20N4O3S/c1-13(2)14-5-7-15(8-6-14)26-19-17(23(24)25)18(21-12-22-19)20-10-9-16-4-3-11-27-16/h3-8,11-13H,9-10H2,1-2H3,(H,20,21,22)