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

Systemtic Name: 3-cyclopentyl-2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C19H22N3O3S- MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S/c1-12-7-8-15(13(2)9-12)20-17(24)11-26-19-21-16(23)10-18(25)22(19)14-5-3-4-6-14/h7-10,14,25H,3-6,11H2,1-2H3,(H,20,24)/p-1