2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[[4-[(2-methoxyanilino)-oxomethyl]phenyl]methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[[4-[(2-methoxyphenyl)carbamoyl]benzyl]thio]-6-methyl-pyrimidin-4-olate Formula: C20H18N3O3S- MolecularWeight: 380.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13-11-18(24)23-20(21-13)27-12-14-7-9-15(10-8-14)19(25)22-16-5-3-4-6-17(16)26-2/h3-11H,12H2,1-2H3,(H,22,25)(H,21,23,24)/p-1