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

Systemtic Name: 7-(furan-2-ylmethyl)-1-(2-oxidanylidenepropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 1-acetonyl-3-benzyl-7-(2-furylmethyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-(2-oxopropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-3-benzyl-7-(2-furfuryl)xanthine Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O4/c1-14(25)10-24-19(26)17-18(21-13-22(17)12-16-8-5-9-28-16)23(20(24)27)11-15-6-3-2-4-7-15/h2-9,13H,10-12H2,1H3