N-[(4-chlorophenyl)methyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C17H12Cl2N4O2S MolecularWeight: 407.27378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12Cl2N4O2S/c18-12-3-1-11(2-4-12)9-20-16-15(23(24)25)17(22-10-21-16)26-14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,20,21,22)