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

Systemtic Name: 8-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[(3,5-dimethylisoxazol-4-yl)methyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=C(ON=C4C)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=C(ON=C4C)C

InChI

InChI=1S/C20H25N7O3/c1-5-7-26-18-16(19(28)27(8-6-2)20(26)29)22-17(23-18)14-9-21-25(10-14)11-15-12(3)24-30-13(15)4/h9-10H,5-8,11H2,1-4H3,(H,22,23)