N-butan-2-yl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-6-phenylsulfanyl-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-butan-2-yl-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-sec-butyl-amine Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-3-10(2)17-13-12(18(19)20)14(16-9-15-13)21-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16,17)