N-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenoxy)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-(3,4-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]amine Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H17ClN4O3/c1-12-3-8-16(9-13(12)2)27-19-17(24(25)26)18(22-11-23-19)21-10-14-4-6-15(20)7-5-14/h3-9,11H,10H2,1-2H3,(H,21,22,23)