methyl 2-[[6-azanyl-5-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[6-azanyl-5-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-amino-5-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C15H15ClN4O4S MolecularWeight: 382.822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)OC)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClN4O4S/c1-7(14(23)24-2)25-15-19-11(17)10(13(22)20-15)18-12(21)8-3-5-9(16)6-4-8/h3-7H,1-2H3,(H,18,21)(H3,17,19,20,22)