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

Systemtic Name: 3-cyclopentyl-2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-(3-methylanilino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-(m-toluidino)ethyl]thio]pyrimidin-4-olate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2C3CCCC3)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-12-5-4-6-13(9-12)19-16(23)11-25-18-20-15(22)10-17(24)21(18)14-7-2-3-8-14/h4-6,9-10,14,24H,2-3,7-8,11H2,1H3,(H,19,23)/p-1