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

Systemtic Name: N-tert-butyl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-tert-butyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-tert-butyl-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-tert-butyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: tert-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:

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

Isomeric SMILES

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

InChI

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