N,N-diethyl-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2S/c1-3-17(4-2)13-12(18(19)20)14(16-10-15-13)21-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3