6-methyl-2-oxidanylidene-4-(2-oxidanylideneazepan-3-yl)sulfanyl-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-oxidanylidene-4-(2-oxidanylideneazepan-3-yl)sulfanyl-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-(2-oxoazepan-3-yl)sulfanyl-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-oxo-4-[(2-oxo-3-azepanyl)thio]-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-oxo-4-(2-oxoazepan-3-yl)sulfanyl-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[(2-ketoazepan-3-yl)thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SC2CCCCNC2=O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SC2CCCCNC2=O)C(=O)O

InChI

InChI=1S/C12H15N3O4S/c1-6-8(11(17)18)10(15-12(19)14-6)20-7-4-2-3-5-13-9(7)16/h7H,2-5H2,1H3,(H,13,16)(H,17,18)(H,14,15,19)