N-tert-butyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-tert-butyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-tert-butyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-tert-butyl-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-tert-butyl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: tert-butyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-14(2,3)17-12-11(18(19)20)13(16-9-15-12)21-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,16,17)