8-chloranyl-1,3-dimethyl-7-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]xanthine Formula: C16H14ClN5O3S MolecularWeight: 391.83206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C16H14ClN5O3S/c1-8-9(18-13(25-8)10-5-4-6-26-10)7-22-11-12(19-15(22)17)20(2)16(24)21(3)14(11)23/h4-6H,7H2,1-3H3