4-[6-[azanyl(oxidanyl)methylidene]-8-oxidanylidene-9-thiophen-2-yl-1,7-dihydropurin-2-yl]cyclohexa-3,5-diene-1,2-dione

Systemtic Name: 4-[6-[azanyl(oxidanyl)methylidene]-8-oxidanylidene-9-thiophen-2-yl-1,7-dihydropurin-2-yl]cyclohexa-3,5-diene-1,2-dione Openeye Name: 4-[6-[amino(hydroxy)methylene]-8-oxo-9-(2-thienyl)-1,7-dihydropurin-2-yl]-1,2-benzoquinone CAS Name: 4-[6-[amino(hydroxy)methylidene]-8-oxo-9-thiophen-2-yl-1,7-dihydropurin-2-yl]cyclohexa-3,5-diene-1,2-dione IUPAC Name: 4-[6-[amino(hydroxy)methylidene]-8-oxo-9-thiophen-2-yl-1,7-dihydropurin-2-yl]cyclohexa-3,5-diene-1,2-dione Traditional Name: 4-[6-[amino(hydroxy)methylene]-8-keto-9-(2-thienyl)-1,7-dihydropurin-2-yl]-o-benzoquinone Formula: C16H11N5O4S MolecularWeight: 369.35464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N2C3=C(C(=C(N)O)NC(=N3)C4=CC(=O)C(=O)C=C4)NC2=O

Isomeric SMILES

C1=CSC(=C1)N2C3=C(C(=C(N)O)NC(=N3)C4=CC(=O)C(=O)C=C4)NC2=O

InChI

InChI=1S/C16H11N5O4S/c17-13(24)11-12-15(21(16(25)19-12)10-2-1-5-26-10)20-14(18-11)7-3-4-8(22)9(23)6-7/h1-6,24H,17H2,(H,18,20)(H,19,25)