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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]purine-2,6-dione CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[(3,5-dimethylisoxazol-4-yl)methyl]xanthine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c1-17-21(18(2)33-27-17)15-30-24(31)22-23(26-16-28(22)13-19-9-5-3-6-10-19)29(25(30)32)14-20-11-7-4-8-12-20/h3-12,16H,13-15H2,1-2H3