8-(furan-2-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-m-anisyl-1,3-dimethyl-xanthine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C20H21N5O4/c1-23-17-16(18(26)24(2)20(23)27)25(12-13-6-4-7-14(10-13)28-3)19(22-17)21-11-15-8-5-9-29-15/h4-10H,11-12H2,1-3H3,(H,21,22)