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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-3,7-diisobutyl-purine-2,6-dione CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]-3,7-diisobutyl-xanthine Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CN2C(=O)C3=C(N=CN3CC(C)C)N(C2=O)CC(C)C

InChI

InChI=1S/C19H27N5O3/c1-11(2)7-22-10-20-17-16(22)18(25)24(19(26)23(17)8-12(3)4)9-15-13(5)21-27-14(15)6/h10-12H,7-9H2,1-6H3