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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-propyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[(2-propylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-propyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-propyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[(2-propylthiazol-4-yl)methyl]xanthine Formula: C14H16ClN5O2S MolecularWeight: 353.82714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CCCC1=NC(=CS1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C14H16ClN5O2S/c1-4-5-9-16-8(7-23-9)6-20-10-11(17-13(20)15)18(2)14(22)19(3)12(10)21/h7H,4-6H2,1-3H3