2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dichlorophenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dichlorophenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-3-(3,4-dichlorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-3-(3,4-dichlorophenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-3-(3,4-dichlorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-3-(3,4-dichlorophenyl)-6-keto-pyrimidin-4-olate Formula: C18H18Cl2N3O3S- MolecularWeight: 427.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)[O-]

InChI

InChI=1S/C18H19Cl2N3O3S/c19-13-7-6-12(8-14(13)20)23-17(26)9-15(24)22-18(23)27-10-16(25)21-11-4-2-1-3-5-11/h6-9,11,26H,1-5,10H2,(H,21,25)/p-1