3-[3,4-bis(sulfanyl)butyl]-1-methyl-quinazoline-2,4-dione

Systemtic Name: 3-[3,4-bis(sulfanyl)butyl]-1-methyl-quinazoline-2,4-dione Openeye Name: 3-[3,4-bis(sulfanyl)butyl]-1-methyl-quinazoline-2,4-dione CAS Name: 3-(3,4-dimercaptobutyl)-1-methylquinazoline-2,4-dione IUPAC Name: 3-[3,4-bis(sulfanyl)butyl]-1-methylquinazoline-2,4-dione Traditional Name: 3-(3,4-dimercaptobutyl)-1-methyl-quinazoline-2,4-quinone Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N(C1=O)CCC(CS)S

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N(C1=O)CCC(CS)S

InChI

InChI=1S/C13H16N2O2S2/c1-14-11-5-3-2-4-10(11)12(16)15(13(14)17)7-6-9(19)8-18/h2-5,9,18-19H,6-8H2,1H3