7-thiophen-2-yl-3H-purine-2,6-dione

Systemtic Name: 7-thiophen-2-yl-3H-purine-2,6-dione Openeye Name: 7-(2-thienyl)-3H-purine-2,6-dione CAS Name: 7-thiophen-2-yl-3H-purine-2,6-dione IUPAC Name: 7-thiophen-2-yl-3H-purine-2,6-dione Traditional Name: 7-(2-thienyl)xanthine Formula: C9H6N4O2S MolecularWeight: 234.23454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)N2C=NC3=C2C(=O)NC(=O)N3

Isomeric SMILES

C1=CSC(=C1)N2C=NC3=C2C(=O)NC(=O)N3

InChI

InChI=1S/C9H6N4O2S/c14-8-6-7(11-9(15)12-8)10-4-13(6)5-2-1-3-16-5/h1-4H,(H2,11,12,14,15)