methyl 4-[3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C20H20N4O4S/c1-11-8-15(16(25)10-29-20-22-17(21)9-18(26)23-20)12(2)24(11)14-6-4-13(5-7-14)19(27)28-3/h4-9H,10H2,1-3H3,(H3,21,22,23,26)