6-(3-methyl-4-propan-2-yl-phenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(3-methyl-4-propan-2-yl-phenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-isopropyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3-methyl-4-propan-2-ylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3-methyl-4-propan-2-ylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: [6-(4-isopropyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N)C(C)C

InChI

InChI=1S/C14H16N4O3/c1-8(2)11-5-4-10(6-9(11)3)21-14-12(18(19)20)13(15)16-7-17-14/h4-8H,1-3H3,(H2,15,16,17)