ethyl 2-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[3-(aminocarbonylamino)-3-oxidanylidene-propyl]sulfanyl-4-azanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(3-oxo-3-ureido-propyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[3-(carbamoylamino)-3-oxopropyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[3-(carbamoylamino)-3-oxopropyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-keto-3-ureido-propyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C11H15N5O4S MolecularWeight: 313.3329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O4S/c1-2-20-9(18)6-5-14-11(16-8(6)12)21-4-3-7(17)15-10(13)19/h5H,2-4H2,1H3,(H2,12,14,16)(H3,13,15,17,19)