2,5-dimethyl-7-thiophen-2-yl-5a,9a-dihydro-4H-purino[8,7-b][1,3]thiazol-5-ium-1,3-dione

Systemtic Name: 2,5-dimethyl-7-thiophen-2-yl-5a,9a-dihydro-4H-purino[8,7-b][1,3]thiazol-5-ium-1,3-dione Openeye Name: 2,5-dimethyl-7-(2-thienyl)-5a,9a-dihydro-4H-purino[8,7-b]thiazol-5-ium-1,3-dione CAS Name: 2,5-dimethyl-7-thiophen-2-yl-5a,9a-dihydro-4H-purino[8,7-b]thiazol-5-ium-1,3-dione IUPAC Name: 2,5-dimethyl-7-thiophen-2-yl-5a,9a-dihydro-4H-purino[8,7-b][1,3]thiazol-5-ium-1,3-dione Traditional Name: 2,5-dimethyl-7-(2-thienyl)-5a,9a-dihydro-4H-purino[8,7-b]thiazol-5-ium-1,3-quinone Formula: C13H13N4O2S2+ MolecularWeight: 321.39792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(=[N+](C3N2C=C(S3)C4=CC=CS4)C)NC1=O

Isomeric SMILES

CN1C(=O)C2C(=[N+](C3N2C=C(S3)C4=CC=CS4)C)NC1=O

InChI

InChI=1S/C13H12N4O2S2/c1-15-10-9(11(18)16(2)12(19)14-10)17-6-8(21-13(15)17)7-4-3-5-20-7/h3-6,9,13H,1-2H3/p+1