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

Systemtic Name: 2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-3-cyclopentyl-6-keto-pyrimidin-4-olate Formula: C17H17ClN3O3S- MolecularWeight: 378.85318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Cl)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Cl)[O-]

InChI

InChI=1S/C17H18ClN3O3S/c18-11-5-7-12(8-6-11)19-15(23)10-25-17-20-14(22)9-16(24)21(17)13-3-1-2-4-13/h5-9,13,24H,1-4,10H2,(H,19,23)/p-1