2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione

Systemtic Name: 2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione Openeye Name: 2-(4-amino-6-oxo-2-thioxo-5H-pyrimidin-5-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione CAS Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione IUPAC Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione Traditional Name: 2-(4-amino-6-keto-2-thioxo-5H-pyrimidin-5-yl)-1,4-bis(4-chlorophenyl)butane-1,4-dione Formula: C20H15Cl2N3O3S MolecularWeight: 448.3224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C2C(=NC(=S)NC2=O)N)C(=O)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C2C(=NC(=S)NC2=O)N)C(=O)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H15Cl2N3O3S/c21-12-5-1-10(2-6-12)15(26)9-14(16-18(23)24-20(29)25-19(16)28)17(27)11-3-7-13(22)8-4-11/h1-8,14,16H,9H2,(H3,23,24,25,28,29)