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

Systemtic Name: 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-7H-purine-2,6-dione Openeye Name: 8-[(3,5-dimethylisoxazol-4-yl)methyl]-3-phenyl-7H-purine-2,6-dione CAS Name: 8-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-phenyl-7H-purine-2,6-dione IUPAC Name: 8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenyl-7H-purine-2,6-dione Traditional Name: 8-[(3,5-dimethylisoxazol-4-yl)methyl]-3-phenyl-7H-purine-2,6-quinone Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CC2=NC3=C(N2)C(=O)NC(=O)N3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CC2=NC3=C(N2)C(=O)NC(=O)N3C4=CC=CC=C4

InChI

InChI=1S/C17H15N5O3/c1-9-12(10(2)25-21-9)8-13-18-14-15(19-13)22(17(24)20-16(14)23)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,18,19)(H,20,23,24)