6-(4-chloranyl-3-methyl-phenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3-methyl-phenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-chloro-3-methyl-phenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-chloro-3-methylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-homoveratryl-amine Formula: C21H21ClN4O5 MolecularWeight: 444.86824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC)Cl

InChI

InChI=1S/C21H21ClN4O5/c1-13-10-15(5-6-16(13)22)31-21-19(26(27)28)20(24-12-25-21)23-9-8-14-4-7-17(29-2)18(11-14)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,24,25)