N-butan-2-yl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-6-(8-quinolylsulfanyl)-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-butan-2-yl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-sec-butyl-amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

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