3-(furan-2-ylmethyl)-7-methyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3-(furan-2-ylmethyl)-7-methyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 3-(2-furylmethyl)-1-(5-hydroxyhexyl)-7-methyl-purine-2,6-dione CAS Name: 3-(2-furanylmethyl)-1-(5-hydroxyhexyl)-7-methylpurine-2,6-dione IUPAC Name: 3-(furan-2-ylmethyl)-1-(5-hydroxyhexyl)-7-methylpurine-2,6-dione Traditional Name: 3-(2-furfuryl)-1-(5-hydroxyhexyl)-7-methyl-xanthine Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CC3=CC=CO3)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CC3=CC=CO3)O

InChI

InChI=1S/C17H22N4O4/c1-12(22)6-3-4-8-20-16(23)14-15(18-11-19(14)2)21(17(20)24)10-13-7-5-9-25-13/h5,7,9,11-12,22H,3-4,6,8,10H2,1-2H3