2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(2-pyridylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 5-[2-keto-2-(2-pyridylmethylamino)ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C21H21N4O3S- MolecularWeight: 409.48144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C21H22N4O3S/c1-14-18(11-19(26)23-12-16-7-3-4-9-22-16)20(27)25-21(24-14)29-13-15-6-5-8-17(10-15)28-2/h3-10H,11-13H2,1-2H3,(H,23,26)(H,24,25,27)/p-1