3-(furan-2-ylmethyl)-7-methyl-8-(phenylmethyl)-1-propyl-purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-7-methyl-8-(phenylmethyl)-1-propyl-purine-2,6-dione Openeye Name: 8-benzyl-3-(2-furylmethyl)-7-methyl-1-propyl-purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-7-methyl-8-(phenylmethyl)-1-propylpurine-2,6-dione IUPAC Name: 8-benzyl-3-(furan-2-ylmethyl)-7-methyl-1-propylpurine-2,6-dione Traditional Name: 8-benzyl-3-(2-furfuryl)-7-methyl-1-propyl-xanthine Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2C)CC3=CC=CC=C3)N(C1=O)CC4=CC=CO4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C)CC3=CC=CC=C3)N(C1=O)CC4=CC=CO4

InChI

InChI=1S/C21H22N4O3/c1-3-11-24-20(26)18-19(25(21(24)27)14-16-10-7-12-28-16)22-17(23(18)2)13-15-8-5-4-6-9-15/h4-10,12H,3,11,13-14H2,1-2H3