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

Systemtic Name: 2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-phenyl-butane-1,4-dione Openeye Name: 2-(4-amino-6-oxo-2-thioxo-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-phenyl-butane-1,4-dione CAS Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-phenylbutane-1,4-dione IUPAC Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-phenylbutane-1,4-dione Traditional Name: 2-(4-amino-6-keto-2-thioxo-5H-pyrimidin-5-yl)-1-(4-chlorophenyl)-4-phenyl-butane-1,4-dione Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O3S/c21-13-8-6-12(7-9-13)17(26)14(10-15(25)11-4-2-1-3-5-11)16-18(22)23-20(28)24-19(16)27/h1-9,14,16H,10H2,(H3,22,23,24,27,28)