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

Systemtic Name: 6-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(cyclopentylamino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclopentylamino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(cyclopentylamino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(cyclopentylamino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C19H22N3O3S- MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3CCCC3

InChI

InChI=1S/C19H23N3O3S/c1-25-16-8-4-5-13(9-16)12-26-19-21-15(11-18(24)22-19)10-17(23)20-14-6-2-3-7-14/h4-5,8-9,11,14H,2-3,6-7,10,12H2,1H3,(H,20,23)(H,21,22,24)/p-1