3-cyclopentyl-2-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-2-[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-(3,5-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-2-[[2-(3,5-dimethoxyanilino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C19H22N3O5S- MolecularWeight: 404.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-])OC

InChI

InChI=1S/C19H23N3O5S/c1-26-14-7-12(8-15(9-14)27-2)20-17(24)11-28-19-21-16(23)10-18(25)22(19)13-5-3-4-6-13/h7-10,13,25H,3-6,11H2,1-2H3,(H,20,24)/p-1