methyl 5-[[6-azanyl-5-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[6-azanyl-5-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[6-amino-5-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[6-amino-5-[(4-chlorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[6-amino-5-[(4-chlorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H15ClN4O5S MolecularWeight: 434.8535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O5S/c1-27-17(26)12-7-6-11(28-12)8-29-18-22-14(20)13(16(25)23-18)21-15(24)9-2-4-10(19)5-3-9/h2-7H,8H2,1H3,(H,21,24)(H3,20,22,23,25)