N-(3-bromophenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (3-bromophenyl)-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]amine Formula: C16H10BrClN4O2S MolecularWeight: 437.6982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrClN4O2S/c17-10-2-1-3-12(8-10)21-15-14(22(23)24)16(20-9-19-15)25-13-6-4-11(18)5-7-13/h1-9H,(H,19,20,21)