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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1NCC3=CC=CO3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H19N5O3/c1-3-4-7-20-11-12(19(2)15(22)18-13(11)21)17-14(20)16-9-10-6-5-8-23-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17)(H,18,21,22)