8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-phenyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-phenyl-7-propyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylisoxazol-4-yl)-1-methyl-3-phenyl-7-propyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-4-isoxazolyl)-1-methyl-3-phenyl-7-propylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-3-phenyl-7-propylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylisoxazol-4-yl)-1-methyl-3-phenyl-7-propyl-xanthine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1C3=C(ON=C3C)C)N(C(=O)N(C2=O)C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(N=C1C3=C(ON=C3C)C)N(C(=O)N(C2=O)C)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3/c1-5-11-24-16-18(21-17(24)15-12(2)22-28-13(15)3)25(14-9-7-6-8-10-14)20(27)23(4)19(16)26/h6-10H,5,11H2,1-4H3