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

Systemtic Name: 5-nitro-N-phenethyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-phenethyl-pyrimidin-4-amine CAS Name: 5-nitro-N-phenethyl-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: 5-nitro-N-phenethyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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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=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3/c1-15(2)17-8-10-18(11-9-17)28-21-19(25(26)27)20(23-14-24-21)22-13-12-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,22,23,24)