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

Systemtic Name: 3,7-dibutyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-1-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]purine-2,6-dione CAS Name: 3,7-dibutyl-1-[(5-methyl-2-phenyl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-1-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]xanthine Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=C(OC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC3=C(OC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5O3/c1-4-6-13-27-16-25-21-20(27)23(30)29(24(31)28(21)14-7-5-2)15-19-17(3)32-22(26-19)18-11-9-8-10-12-18/h8-12,16H,4-7,13-15H2,1-3H3