1,3-dimethyl-8-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[4-(2-oxochromen-3-yl)thiazol-2-yl]sulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanyl]-7H-purine-2,6-dione Traditional Name: 8-[[4-(2-ketochromen-3-yl)thiazol-2-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H13N5O4S2 MolecularWeight: 439.46762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C19H13N5O4S2/c1-23-14-13(15(25)24(2)19(23)27)21-17(22-14)30-18-20-11(8-29-18)10-7-9-5-3-4-6-12(9)28-16(10)26/h3-8H,1-2H3,(H,21,22)