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

Systemtic Name: 6-azanyl-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NNC(=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C17H18N6O3S/c1-2-8-23-13(18)12(15(25)20-17(23)26)11(24)9-27-16-19-14(21-22-16)10-6-4-3-5-7-10/h3-7H,2,8-9,18H2,1H3,(H,19,21,22)(H,20,25,26)