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

Systemtic Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-(2-furylmethyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-(2-furanylmethyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-(furan-2-ylmethyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-(2-furfuryl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]xanthine Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=NN=C(O3)C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C18H20N6O4/c1-3-4-7-23-16-15(22(11-19-16)9-13-6-5-8-27-13)17(25)24(18(23)26)10-14-21-20-12(2)28-14/h5-6,8,11H,3-4,7,9-10H2,1-2H3