N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: homoveratryl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C23H26N4O5 MolecularWeight: 438.47634

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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(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O5/c1-15(2)17-6-8-18(9-7-17)32-23-21(27(28)29)22(25-14-26-23)24-12-11-16-5-10-19(30-3)20(13-16)31-4/h5-10,13-15H,11-12H2,1-4H3,(H,24,25,26)