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

Systemtic Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H17ClN3O2S- MolecularWeight: 350.84308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O2S/c1-2-3-13-8-14(21)20-16(19-13)23-10-15(22)18-9-11-4-6-12(17)7-5-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H,19,20,21)/p-1