3-butyl-8-[[furan-2-ylmethyl(methyl)amino]methyl]-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[furan-2-ylmethyl(methyl)amino]methyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[2-furylmethyl(methyl)amino]methyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[[2-furanylmethyl(methyl)amino]methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[furan-2-ylmethyl(methyl)amino]methyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[[2-furfuryl(methyl)amino]methyl]-7-methyl-xanthine Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC=CO3)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC=CO3)C

InChI

InChI=1S/C17H23N5O3/c1-4-5-8-22-15-14(16(23)19-17(22)24)21(3)13(18-15)11-20(2)10-12-7-6-9-25-12/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,19,23,24)