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

Systemtic Name: 6-azanyl-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=CN2C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=NN=CN2C)N

InChI

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