ethyl 4-azanyl-2-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(tert-butylcarbamoylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(tert-butylcarbamoylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C14H21N5O4S MolecularWeight: 355.41264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C14H21N5O4S/c1-5-23-11(21)8-6-16-13(18-10(8)15)24-7-9(20)17-12(22)19-14(2,3)4/h6H,5,7H2,1-4H3,(H2,15,16,18)(H2,17,19,20,22)