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

Systemtic Name: 6-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(cyclohexylmethylamino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(cyclohexylmethylamino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C21H26N3O3S- MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NCC3CCCCC3

InChI

InChI=1S/C21H27N3O3S/c1-27-18-9-5-8-16(10-18)14-28-21-23-17(12-20(26)24-21)11-19(25)22-13-15-6-3-2-4-7-15/h5,8-10,12,15H,2-4,6-7,11,13-14H2,1H3,(H,22,25)(H,23,24,26)/p-1