2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(2-amino-6-oxo-3,7-dihydropurin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(2-amino-6-keto-3,7-dihydropurin-8-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C14H11N7O2S2 MolecularWeight: 373.41284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3)C(=O)N=C(N4)N

InChI

InChI=1S/C14H11N7O2S2/c15-12-19-10-9(11(23)21-12)18-13(20-10)24-5-8(22)17-14-16-6-3-1-2-4-7(6)25-14/h1-4H,5H2,(H,16,17,22)(H4,15,18,19,20,21,23)