8-bromanyl-1,3-dimethyl-9-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-9-[(2-isopropylthiazol-4-yl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(2-propan-2-yl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-9-[(2-isopropylthiazol-4-yl)methyl]-1,3-dimethyl-xanthine Formula: C14H16BrN5O2S MolecularWeight: 398.27814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC(C)C1=NC(=CS1)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C14H16BrN5O2S/c1-7(2)10-16-8(6-23-10)5-20-11-9(17-13(20)15)12(21)19(4)14(22)18(11)3/h6-7H,5H2,1-4H3