6-[(6,7-dimethyl-4-oxidanylidene-1H-pteridin-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[(6,7-dimethyl-4-oxidanylidene-1H-pteridin-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-[(6,7-dimethyl-4-oxo-1H-pteridin-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione CAS Name: 6-[[(6,7-dimethyl-4-oxo-1H-pteridin-2-yl)thio]methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-[(6,7-dimethyl-4-oxo-1H-pteridin-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[[(4-keto-6,7-dimethyl-1H-pteridin-2-yl)thio]methyl]uracil Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC(=NC2=O)SCC3=CC(=O)NC(=O)N3)N=C1C

Isomeric SMILES

CC1=NC2=C(NC(=NC2=O)SCC3=CC(=O)NC(=O)N3)N=C1C

InChI

InChI=1S/C13H12N6O3S/c1-5-6(2)15-10-9(14-5)11(21)19-13(18-10)23-4-7-3-8(20)17-12(22)16-7/h3H,4H2,1-2H3,(H,15,18,19,21)(H2,16,17,20,22)