3-butyl-8-(hydroxymethyl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(hydroxymethyl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(hydroxymethyl)-1-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(hydroxymethyl)-1-[(5-methyl-2-phenyl-4-oxazolyl)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-(hydroxymethyl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-methylol-1-[(5-methyl-2-phenyl-oxazol-4-yl)methyl]-7-propyl-xanthine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(OC(=N3)C4=CC=CC=C4)C)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=C(OC(=N3)C4=CC=CC=C4)C)N(C(=N2)CO)CCC

InChI

InChI=1S/C24H29N5O4/c1-4-6-13-28-21-20(27(12-5-2)19(15-30)26-21)23(31)29(24(28)32)14-18-16(3)33-22(25-18)17-10-8-7-9-11-17/h7-11,30H,4-6,12-15H2,1-3H3