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

Systemtic Name: 5-nitro-N-(4-phenoxyphenyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(4-phenoxyphenyl)-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(4-phenoxyphenyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(4-phenoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C25H17N5O3S MolecularWeight: 467.49918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N5O3S/c31-30(32)23-24(29-18-11-13-20(14-12-18)33-19-8-2-1-3-9-19)27-16-28-25(23)34-21-10-4-6-17-7-5-15-26-22(17)21/h1-16H,(H,27,28,29)