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

Systemtic Name: 1,3-dimethyl-7-[(2-propyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(2-propylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-propyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-propyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(2-propylthiazol-4-yl)methyl]xanthine Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CS1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCC1=NC(=CS1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H17N5O2S/c1-4-5-10-16-9(7-22-10)6-19-8-15-12-11(19)13(20)18(3)14(21)17(12)2/h7-8H,4-6H2,1-3H3