7-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione CAS Name: 7-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]xanthine Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=NN=C(O4)C

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=NN=C(O4)C

InChI

InChI=1S/C20H22N6O3/c1-3-4-10-24-13-21-18-17(24)19(27)26(12-16-23-22-14(2)29-16)20(28)25(18)11-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3