5-nitro-N-(1-phenylethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(1-phenylethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(1-phenylethyl)-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(1-phenylethyl)-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(1-phenylethyl)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-])NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-14(2)16-9-11-18(12-10-16)28-21-19(25(26)27)20(22-13-23-21)24-15(3)17-7-5-4-6-8-17/h4-15H,1-3H3,(H,22,23,24)