5-nitro-6-phenylsulfanyl-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 5-nitro-6-phenylsulfanyl-1-propyl-pyrimidine-2,4-dione Openeye Name: 5-nitro-6-phenylsulfanyl-1-propyl-pyrimidine-2,4-dione CAS Name: 5-nitro-6-(phenylthio)-1-propylpyrimidine-2,4-dione IUPAC Name: 5-nitro-6-phenylsulfanyl-1-propylpyrimidine-2,4-dione Traditional Name: 5-nitro-6-(phenylthio)-1-propyl-pyrimidine-2,4-quinone Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O4S/c1-2-8-15-12(21-9-6-4-3-5-7-9)10(16(19)20)11(17)14-13(15)18/h3-7H,2,8H2,1H3,(H,14,17,18)