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

Systemtic Name: 3-cyclopentyl-2-[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(2-acetylanilino)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(2-acetylanilino)-2-oxoethyl]thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(2-acetylanilino)-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(2-acetylanilino)-2-keto-ethyl]thio]-3-cyclopentyl-6-keto-pyrimidin-4-olate Formula: C19H20N3O4S- MolecularWeight: 386.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-12(23)14-8-4-5-9-15(14)20-17(25)11-27-19-21-16(24)10-18(26)22(19)13-6-2-3-7-13/h4-5,8-10,13,26H,2-3,6-7,11H2,1H3,(H,20,25)/p-1