3-(furan-2-ylmethyl)-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 8-benzyl-3-(2-furylmethyl)-1-pentyl-7H-purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-1-pentyl-8-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 8-benzyl-3-(furan-2-ylmethyl)-1-pentyl-7H-purine-2,6-dione Traditional Name: 1-amyl-8-benzyl-3-(2-furfuryl)-7H-purine-2,6-quinone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C(N2)CC3=CC=CC=C3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C22H24N4O3/c1-2-3-7-12-25-21(27)19-20(26(22(25)28)15-17-11-8-13-29-17)24-18(23-19)14-16-9-5-4-6-10-16/h4-6,8-11,13H,2-3,7,12,14-15H2,1H3,(H,23,24)