ethyl 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C15H18N4O4S MolecularWeight: 350.39282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=O)C=C(N2)N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=O)C=C(N2)N)C)C

InChI

InChI=1S/C15H18N4O4S/c1-4-23-14(22)13-8(3)17-7(2)12(13)9(20)6-24-15-18-10(16)5-11(21)19-15/h5,17H,4,6H2,1-3H3,(H3,16,18,19,21)