6-methyl-2-[2-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-(phenylmethyl)pyrimidin-4-olate Openeye Name: 5-benzyl-2-[2-[(5-isopropoxycarbonyl-4-methyl-thiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[[4-methyl-5-[oxo(propan-2-yloxy)methyl]-2-thiazolyl]amino]-2-oxoethyl]thio]-5-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 5-benzyl-6-methyl-2-[2-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-benzyl-2-[[2-[(5-isopropoxycarbonyl-4-methyl-thiazol-2-yl)amino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C22H23N4O4S2- MolecularWeight: 471.57242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)NC2=NC(=C(S2)C(=O)OC(C)C)C)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)NC2=NC(=C(S2)C(=O)OC(C)C)C)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S2/c1-12(2)30-20(29)18-14(4)24-22(32-18)25-17(27)11-31-21-23-13(3)16(19(28)26-21)10-15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3,(H,23,26,28)(H,24,25,27)/p-1