2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-6-oxo-5-phenyl-1H-pyrimidin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-6-oxo-5-phenyl-1H-pyrimidin-4-olate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-5-phenyl-1H-pyrimidin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-keto-5-phenyl-1H-pyrimidin-4-olate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=C(C(=O)N2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H21N3O3S/c22-14(19-13-9-5-2-6-10-13)11-25-18-20-16(23)15(17(24)21-18)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,19,22)(H2,20,21,23,24)/p-1