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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-amino-3-oxo-propyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(3-amino-3-oxopropyl)thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3-amino-3-oxopropyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(3-amino-3-keto-propyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C9H11N3O4S MolecularWeight: 257.26634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCC(=O)N)C(=O)O

InChI

InChI=1S/C9H11N3O4S/c1-4-6(8(14)15)7(12-9(16)11-4)17-3-2-5(10)13/h2-3H2,1H3,(H2,10,13)(H,14,15)(H,11,12,16)