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

Systemtic Name: N-butyl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-butyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-butyl-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-butyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: butyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c1-2-3-9-19-16-15(22(23)24)17(21-11-20-16)25-13-8-4-6-12-7-5-10-18-14(12)13/h4-8,10-11H,2-3,9H2,1H3,(H,19,20,21)