1-butyl-3-methyl-7-[2-oxidanylpropyl(quinolin-3-yloxy)amino]purine-2,6-dione

Systemtic Name: 1-butyl-3-methyl-7-[2-oxidanylpropyl(quinolin-3-yloxy)amino]purine-2,6-dione Openeye Name: 1-butyl-7-[2-hydroxypropyl(3-quinolyloxy)amino]-3-methyl-purine-2,6-dione CAS Name: 1-butyl-7-[2-hydroxypropyl(3-quinolinyloxy)amino]-3-methylpurine-2,6-dione IUPAC Name: 1-butyl-7-[2-hydroxypropyl(quinolin-3-yloxy)amino]-3-methylpurine-2,6-dione Traditional Name: 1-butyl-7-[2-hydroxypropyl(3-quinolyloxy)amino]-3-methyl-xanthine Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2N(CC(C)O)OC3=CC4=CC=CC=C4N=C3)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2N(CC(C)O)OC3=CC4=CC=CC=C4N=C3)N(C1=O)C

InChI

InChI=1S/C22H26N6O4/c1-4-5-10-26-21(30)19-20(25(3)22(26)31)24-14-27(19)28(13-15(2)29)32-17-11-16-8-6-7-9-18(16)23-12-17/h6-9,11-12,14-15,29H,4-5,10,13H2,1-3H3