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

Systemtic Name: 2-(4-azanyl-6-oxidanylidene-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-diphenyl-butane-1,4-dione Openeye Name: 2-(4-amino-6-oxo-2-thioxo-5H-pyrimidin-5-yl)-1,4-diphenyl-butane-1,4-dione CAS Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-diphenylbutane-1,4-dione IUPAC Name: 2-(4-amino-6-oxo-2-sulfanylidene-5H-pyrimidin-5-yl)-1,4-diphenylbutane-1,4-dione Traditional Name: 2-(4-amino-6-keto-2-thioxo-5H-pyrimidin-5-yl)-1,4-diphenyl-butane-1,4-dione Formula: C20H17N3O3S MolecularWeight: 379.43228

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c21-18-16(19(26)23-20(27)22-18)14(17(25)13-9-5-2-6-10-13)11-15(24)12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H3,21,22,23,26,27)