2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-6-methyl-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-keto-2-(m-anisylamino)ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)OC)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NCC2=CC(=CC=C2)OC)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-15-19(12-16-7-4-3-5-8-16)21(27)25-22(24-15)29-14-20(26)23-13-17-9-6-10-18(11-17)28-2/h3-11H,12-14H2,1-2H3,(H,23,26)(H,24,25,27)/p-1