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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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