4-azanyl-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-amino-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-[[2-(allylamino)-2-keto-ethyl]thio]-4-amino-pyrimidine-5-carboxylic acid Formula: C10H12N4O3S MolecularWeight: 268.29228

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NC=C(C(=N1)N)C(=O)O

Isomeric SMILES

C=CCNC(=O)CSC1=NC=C(C(=N1)N)C(=O)O

InChI

InChI=1S/C10H12N4O3S/c1-2-3-12-7(15)5-18-10-13-4-6(9(16)17)8(11)14-10/h2,4H,1,3,5H2,(H,12,15)(H,16,17)(H2,11,13,14)