7-butyl-1-[3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]-3-propyl-purine-2,6-dione

Systemtic Name: 7-butyl-1-[3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]-3-propyl-purine-2,6-dione Openeye Name: 7-butyl-1-[3-(2-furylmethoxy)-2-hydroxy-propyl]-3-propyl-purine-2,6-dione CAS Name: 7-butyl-1-[3-(2-furanylmethoxy)-2-hydroxypropyl]-3-propylpurine-2,6-dione IUPAC Name: 7-butyl-1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-3-propylpurine-2,6-dione Traditional Name: 7-butyl-1-[3-(2-furfuryloxy)-2-hydroxy-propyl]-3-propyl-xanthine Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COCC3=CC=CO3)O

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(COCC3=CC=CO3)O

InChI

InChI=1S/C20H28N4O5/c1-3-5-9-22-14-21-18-17(22)19(26)24(20(27)23(18)8-4-2)11-15(25)12-28-13-16-7-6-10-29-16/h6-7,10,14-15,25H,3-5,8-9,11-13H2,1-2H3