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

Systemtic Name: N-(3-bromophenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (3-bromophenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H13BrN4O2S MolecularWeight: 417.27972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O2S/c1-11-5-7-14(8-6-11)25-17-15(22(23)24)16(19-10-20-17)21-13-4-2-3-12(18)9-13/h2-10H,1H3,(H,19,20,21)