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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(2-thienylmethylamino)ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-methyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrimidin-4-olate Traditional Name: 5-[2-keto-2-(2-thenylamino)ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C20H20N3O3S2- MolecularWeight: 414.5211

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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=CS3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H21N3O3S2/c1-13-17(10-18(24)21-11-16-7-4-8-27-16)19(25)23-20(22-13)28-12-14-5-3-6-15(9-14)26-2/h3-9H,10-12H2,1-2H3,(H,21,24)(H,22,23,25)/p-1