ethyl 4-azanyl-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(isopropylamino)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C12H18N4O3S MolecularWeight: 298.36132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O3S/c1-4-19-11(18)8-5-14-12(16-10(8)13)20-6-9(17)15-7(2)3/h5,7H,4,6H2,1-3H3,(H,15,17)(H2,13,14,16)