6-azanyl-3-methyl-1-propyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-1-propyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-3-methyl-1-propyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-3-methyl-1-propyl-5-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-3-methyl-1-propyl-5-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]pyrimidine-2,4-quinone Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NN2)N

Isomeric SMILES

CCCN1C(=C(C(=O)N(C1=O)C)C(=O)CSC2=NC=NN2)N

InChI

InChI=1S/C12H16N6O3S/c1-3-4-18-9(13)8(10(20)17(2)12(18)21)7(19)5-22-11-14-6-15-16-11/h6H,3-5,13H2,1-2H3,(H,14,15,16)