(6Z)-6-[oxidanyl-(3-phenylprop-2-ynylamino)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

Systemtic Name: (6Z)-6-[oxidanyl-(3-phenylprop-2-ynylamino)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[hydroxy-(3-phenylprop-2-ynylamino)methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[hydroxy-(3-phenylprop-2-ynylamino)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[hydroxy-(3-phenylprop-2-ynylamino)methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[hydroxy-(3-phenylprop-2-ynylamino)methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-quinone Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCNC(=C2C(=O)C(=O)N=C(N2)C3=CC=CS3)O

Isomeric SMILES

C1=CC=C(C=C1)C#CCN/C(=C/2\C(=O)C(=O)N=C(N2)C3=CC=CS3)/O

InChI

InChI=1S/C18H13N3O3S/c22-15-14(20-16(21-18(15)24)13-9-5-11-25-13)17(23)19-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11,19,23H,10H2,(H,20,21,24)/b17-14-