ethyl 6-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N5O4S3 MolecularWeight: 403.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(S2)SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=C(S2)SCC(=O)N

InChI

InChI=1S/C13H17N5O4S3/c1-3-22-10(20)9-6(2)15-11(21)16-7(9)4-23-12-17-18-13(25-12)24-5-8(14)19/h6H,3-5H2,1-2H3,(H2,14,19)(H2,15,16,21)