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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopentylamino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(cyclopentylamino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(cyclopentylamino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-[(3-chlorobenzyl)thio]-6-[2-(cyclopentylamino)-2-keto-ethyl]pyrimidin-4-olate Formula: C18H19ClN3O2S- MolecularWeight: 376.88036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

Isomeric SMILES

C1CCC(C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)Cl)[O-]

InChI

InChI=1S/C18H20ClN3O2S/c19-13-5-3-4-12(8-13)11-25-18-21-15(10-17(24)22-18)9-16(23)20-14-6-1-2-7-14/h3-5,8,10,14H,1-2,6-7,9,11H2,(H,20,23)(H,21,22,24)/p-1