1,3-dimethyl-7-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[2-(3-thienyl)thiazol-4-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[2-(3-thiophenyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[2-(3-thienyl)thiazol-4-yl]methyl]xanthine Formula: C15H13N5O2S2 MolecularWeight: 359.42602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C15H13N5O2S2/c1-18-12-11(14(21)19(2)15(18)22)20(8-16-12)5-10-7-24-13(17-10)9-3-4-23-6-9/h3-4,6-8H,5H2,1-2H3