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

Systemtic Name: 8-[2-(2-chlorophenyl)ethylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-[2-(2-chlorophenyl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[2-(2-chlorophenyl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2-chlorophenyl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[2-(2-chlorophenyl)ethylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCC3=CC=CC=C3Cl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCCC3=CC=CC=C3Cl)N(C1=O)C)O

InChI

InChI=1S/C21H28ClN5O3/c1-14(28)8-6-7-13-27-19(29)17-18(26(3)21(27)30)24-20(25(17)2)23-12-11-15-9-4-5-10-16(15)22/h4-5,9-10,14,28H,6-8,11-13H2,1-3H3,(H,23,24)