5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(6-azanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(6-amino-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[(6-amino-4-keto-2-thioxo-1H-pyrimidin-5-yl)-(2-chlorophenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C(C2=CC=CC=C2Cl)C3=C(NC(=S)NC3=O)N)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C(C2=CC=CC=C2Cl)C3=C(NC(=S)NC3=O)N)C

InChI

InChI=1S/C17H16ClN3O5S/c1-17(2)25-14(23)11(15(24)26-17)9(7-5-3-4-6-8(7)18)10-12(19)20-16(27)21-13(10)22/h3-6,9,11H,1-2H3,(H4,19,20,21,22,27)