6-(4-ethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine

Systemtic Name: 6-(4-ethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Openeye Name: 6-(4-ethylphenoxy)-N-(4-isopropylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)-4-pyrimidinamine IUPAC Name: 6-(4-ethylphenoxy)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine Traditional Name: [6-(4-ethylphenoxy)-5-nitro-pyrimidin-4-yl]-p-cumenyl-amine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H22N4O3/c1-4-15-5-11-18(12-6-15)28-21-19(25(26)27)20(22-13-23-21)24-17-9-7-16(8-10-17)14(2)3/h5-14H,4H2,1-3H3,(H,22,23,24)