methyl 2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-amino-4-keto-5-(veratroylamino)-1H-pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6S/c1-8(16(24)27-4)28-17-20-13(18)12(15(23)21-17)19-14(22)9-5-6-10(25-2)11(7-9)26-3/h5-8H,1-4H3,(H,19,22)(H3,18,20,21,23)