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

Systemtic Name: 5-nitro-6-phenylsulfanyl-N-propyl-pyrimidin-4-amine Openeye Name: 5-nitro-6-phenylsulfanyl-N-propyl-pyrimidin-4-amine CAS Name: 5-nitro-6-(phenylthio)-N-propyl-4-pyrimidinamine IUPAC Name: 5-nitro-6-phenylsulfanyl-N-propylpyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-propyl-amine Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)SC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O2S/c1-2-8-14-12-11(17(18)19)13(16-9-15-12)20-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,15,16)