8-(furan-2-ylmethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-xanthine Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N5O4/c1-24-17-16(18(26)23-20(24)27)25(10-9-13-5-7-14(28-2)8-6-13)19(22-17)21-12-15-4-3-11-29-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,22)(H,23,26,27)