N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)quinolin-5-amine

Systemtic Name: N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)quinolin-5-amine Openeye Name: N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)quinolin-5-amine CAS Name: N-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)quinolin-5-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-(5-quinolyl)amine Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C19H13N5O2S/c25-24(26)17-18(21-12-22-19(17)27-13-6-2-1-3-7-13)23-16-10-4-9-15-14(16)8-5-11-20-15/h1-12H,(H,21,22,23)