6,7-dimethyl-3-[3-methyl-3,4-bis(sulfanyl)butyl]-1H-pteridine-2,4-dione

Systemtic Name: 6,7-dimethyl-3-[3-methyl-3,4-bis(sulfanyl)butyl]-1H-pteridine-2,4-dione Openeye Name: 6,7-dimethyl-3-[3-methyl-3,4-bis(sulfanyl)butyl]-1H-pteridine-2,4-dione CAS Name: 3-(3,4-dimercapto-3-methylbutyl)-6,7-dimethyl-1H-pteridine-2,4-dione IUPAC Name: 6,7-dimethyl-3-[3-methyl-3,4-bis(sulfanyl)butyl]-1H-pteridine-2,4-dione Traditional Name: 3-(3,4-dimercapto-3-methyl-butyl)-6,7-dimethyl-1H-pteridine-2,4-quinone Formula: C13H18N4O2S2 MolecularWeight: 326.43762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(NC(=O)N(C2=O)CCC(C)(CS)S)N=C1C

Isomeric SMILES

CC1=NC2=C(NC(=O)N(C2=O)CCC(C)(CS)S)N=C1C

InChI

InChI=1S/C13H18N4O2S2/c1-7-8(2)15-10-9(14-7)11(18)17(12(19)16-10)5-4-13(3,21)6-20/h20-21H,4-6H2,1-3H3,(H,15,16,19)