7-(furan-2-ylmethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-3-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-propyl-purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-3-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-propylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-propyl-xanthine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3/c1-2-10-23-19(25)17-18(21-14-22(17)13-16-9-6-11-27-16)24(20(23)26)12-15-7-4-3-5-8-15/h3-9,11,14H,2,10,12-13H2,1H3