N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O3/c1-13(2)15-5-9-17(10-6-15)28-20-18(25(26)27)19(23-12-24-20)22-11-14-3-7-16(21)8-4-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)