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

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O2S/c26-25(27)18-19(22-12-14-6-2-1-3-7-14)23-13-24-20(18)28-16-10-4-8-15-9-5-11-21-17(15)16/h1-11,13H,12H2,(H,22,23,24)