2-cyclopropyl-4-methyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-4-methyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-cyclopropyl-4-methyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-cyclopropyl-4-methyl-6-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-cyclopropyl-4-methyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-cyclopropyl-4-[[2-keto-2-(propargylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC#C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NCC#C)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c1-3-6-15-10(18)7-21-13-11(14(19)20)8(2)16-12(17-13)9-4-5-9/h1,9H,4-7H2,2H3,(H,15,18)(H,19,20)