5-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[[4-(4-acetamidophenyl)-2-thiazolyl]amino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[[4-(4-acetamidophenyl)thiazol-2-yl]amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C20H20N5O3S2- MolecularWeight: 442.5345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H21N5O3S2/c1-11-15(18(28)25-19(21-11)29-3)8-9-17(27)24-20-23-16(10-30-20)13-4-6-14(7-5-13)22-12(2)26/h4-7,10H,8-9H2,1-3H3,(H,22,26)(H,21,25,28)(H,23,24,27)/p-1