N-[(4-chlorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C16H15ClN6O2 MolecularWeight: 358.7823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C16H15ClN6O2/c1-10-7-11(2)22(21-10)16-14(23(24)25)15(19-9-20-16)18-8-12-3-5-13(17)6-4-12/h3-7,9H,8H2,1-2H3,(H,18,19,20)