8-[2-(2-methoxyphenyl)ethylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-[2-(2-methoxyphenyl)ethylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-8-[2-(2-methoxyphenyl)ethylamino]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-8-[2-(2-methoxyphenyl)ethylamino]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-8-[2-(2-methoxyphenyl)ethylamino]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-8-[2-(2-methoxyphenyl)ethylamino]-3,7-dimethyl-xanthine Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCC3=CC=CC=C3OC)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCC3=CC=CC=C3OC)N(C1=O)C)O

InChI

InChI=1S/C22H31N5O4/c1-15(28)9-7-8-14-27-20(29)18-19(26(3)22(27)30)24-21(25(18)2)23-13-12-16-10-5-6-11-17(16)31-4/h5-6,10-11,15,28H,7-9,12-14H2,1-4H3,(H,23,24)