8-(furan-2-ylmethylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(2-furylmethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(furan-2-ylmethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(2-furfurylamino)-3,7-dimethyl-xanthine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H19N5O3/c1-22-15-16(21-18(22)20-11-14-9-6-10-27-14)23(2)19(26)24(17(15)25)12-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,20,21)