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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

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