2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C17H18N3O2S- MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O2S/c21-15-10-14(12-6-2-1-3-7-12)19-17(20-15)23-11-16(22)18-13-8-4-5-9-13/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,18,22)(H,19,20,21)/p-1