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

Systemtic Name: 7-(furan-2-ylmethyl)-1-(3-oxidanylidenebutyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-(3-oxobutyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-(3-oxobutyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-(3-oxobutyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-(3-ketobutyl)xanthine Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CCN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O4/c1-15(26)9-10-24-20(27)18-19(22-14-23(18)13-17-8-5-11-29-17)25(21(24)28)12-16-6-3-2-4-7-16/h2-8,11,14H,9-10,12-13H2,1H3