8-(furan-2-ylmethylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-7-isobutyl-3-methyl-purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3-methyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-isobutyl-3-methyl-xanthine Formula: C15H19N5O3 MolecularWeight: 317.34306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H19N5O3/c1-9(2)8-20-11-12(19(3)15(22)18-13(11)21)17-14(20)16-7-10-5-4-6-23-10/h4-6,9H,7-8H2,1-3H3,(H,16,17)(H,18,21,22)