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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(3-pyridylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-oxo-2-(3-pyridinylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrimidin-4-olate Traditional Name: 5-[2-keto-2-(3-pyridylamino)ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C20H19N4O3S- MolecularWeight: 395.45486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-13-17(10-18(25)23-15-6-4-8-21-11-15)19(26)24-20(22-13)28-12-14-5-3-7-16(9-14)27-2/h3-9,11H,10,12H2,1-2H3,(H,23,25)(H,22,24,26)/p-1