2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-methoxyphenyl)methylthio]-6-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrimidin-4-olate Traditional Name: 6-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C18H17N4O3S2- MolecularWeight: 401.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC(=CC=C3)OC)[O-]

InChI

InChI=1S/C18H18N4O3S2/c1-11-9-26-17(19-11)21-15(23)7-13-8-16(24)22-18(20-13)27-10-12-4-3-5-14(6-12)25-2/h3-6,8-9H,7,10H2,1-2H3,(H,19,21,23)(H,20,22,24)/p-1