5-nitro-N-phenethyl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-phenethyl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-phenethyl-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-phenethyl-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-phenethyl-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-phenethyl-amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c27-26(28)19-20(23-13-11-15-6-2-1-3-7-15)24-14-25-21(19)29-17-10-4-8-16-9-5-12-22-18(16)17/h1-10,12,14H,11,13H2,(H,23,24,25)