2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Openeye Name: 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate IUPAC Name: 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Traditional Name: 2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-olate Formula: C16H15ClN3O2S- MolecularWeight: 348.8272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(CCC3)C(=N2)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(CCC3)C(=N2)[O-]

InChI

InChI=1S/C16H16ClN3O2S/c1-9-11(17)5-3-6-12(9)18-14(21)8-23-16-19-13-7-2-4-10(13)15(22)20-16/h3,5-6H,2,4,7-8H2,1H3,(H,18,21)(H,19,20,22)/p-1