8-bromanyl-1,3-dimethyl-9-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(5-methyl-2-phenyl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]xanthine Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C18H16BrN5O3/c1-10-12(20-14(27-10)11-7-5-4-6-8-11)9-24-15-13(21-17(24)19)16(25)23(3)18(26)22(15)2/h4-8H,9H2,1-3H3