2-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H16Cl2N3O2S- MolecularWeight: 385.28814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCC2=C(C=C(C=C2)Cl)Cl)[O-]

InChI

InChI=1S/C16H17Cl2N3O2S/c1-2-3-12-7-14(22)21-16(20-12)24-9-15(23)19-8-10-4-5-11(17)6-13(10)18/h4-7H,2-3,8-9H2,1H3,(H,19,23)(H,20,21,22)/p-1