4-(3-cyanopropylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-cyanopropylsulfanyl)-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(3-cyanopropylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-(3-cyanopropylthio)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(3-cyanopropylsulfanyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-(3-cyanopropylthio)-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C10H11N3O3S MolecularWeight: 253.27764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCCCC#N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCCCC#N)C(=O)O

InChI

InChI=1S/C10H11N3O3S/c1-6-7(9(14)15)8(13-10(16)12-6)17-5-3-2-4-11/h2-3,5H2,1H3,(H,14,15)(H,12,13,16)