3-(2,6-diethylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-(2,6-diethylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-(2,6-diethylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-(2,6-diethylphenyl)-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-(2,6-diethylphenyl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-(2,6-diethylphenyl)-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C25H26N3O3S- MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC(=O)N3CCCC4=CC=CC=C43)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=CC(=O)N=C2SCC(=O)N3CCCC4=CC=CC=C43)[O-]

InChI

InChI=1S/C25H27N3O3S/c1-3-17-10-7-11-18(4-2)24(17)28-22(30)15-21(29)26-25(28)32-16-23(31)27-14-8-12-19-9-5-6-13-20(19)27/h5-7,9-11,13,15,30H,3-4,8,12,14,16H2,1-2H3/p-1