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

Systemtic Name: 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[(3-methylisoxazol-5-yl)methyl]purine-2,6-dione CAS Name: 1-[(3-methyl-5-isoxazolyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[(3-methylisoxazol-5-yl)methyl]xanthine Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=NOC(=C1)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C24H21N5O3/c1-17-12-20(32-26-17)15-29-23(30)21-22(25-16-27(21)13-18-8-4-2-5-9-18)28(24(29)31)14-19-10-6-3-7-11-19/h2-12,16H,13-15H2,1H3