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

Systemtic Name: 1,3-dimethyl-7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(5-methyl-2-phenyl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]xanthine Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H17N5O3/c1-11-13(20-16(26-11)12-7-5-4-6-8-12)9-23-10-19-15-14(23)17(24)22(3)18(25)21(15)2/h4-8,10H,9H2,1-3H3