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

Systemtic Name: 7-(furan-2-ylmethyl)-1-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-1-isobutyl-purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-1-(2-methylpropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-1-isobutyl-xanthine Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3/c1-15(2)11-25-20(26)18-19(22-14-23(18)13-17-9-6-10-28-17)24(21(25)27)12-16-7-4-3-5-8-16/h3-10,14-15H,11-13H2,1-2H3