2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-oxo-2-(3-phenylpropylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-oxo-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-keto-2-(3-phenylpropylamino)ethyl]pyrimidin-4-olate Formula: C22H21ClN3O2S- MolecularWeight: 426.93904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C22H22ClN3O2S/c23-18-10-4-8-17(12-18)15-29-22-25-19(14-21(28)26-22)13-20(27)24-11-5-9-16-6-2-1-3-7-16/h1-4,6-8,10,12,14H,5,9,11,13,15H2,(H,24,27)(H,25,26,28)/p-1