6-azanyl-5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C16H17N7O3S MolecularWeight: 387.41628

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=NN2C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=NN2C3=CC=CC=C3)N

InChI

InChI=1S/C16H17N7O3S/c1-2-8-22-13(17)12(14(25)18-15(22)26)11(24)9-27-16-19-20-21-23(16)10-6-4-3-5-7-10/h3-7H,2,8-9,17H2,1H3,(H,18,25,26)