N-(3-bromophenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (3-bromophenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C19H12BrN5O2S MolecularWeight: 454.29988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)Br)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)Br)N=CC=C2

InChI

InChI=1S/C19H12BrN5O2S/c20-13-6-2-7-14(10-13)24-18-17(25(26)27)19(23-11-22-18)28-15-8-1-4-12-5-3-9-21-16(12)15/h1-11H,(H,22,23,24)