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

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)amino]-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C20H26ClN5O3 MolecularWeight: 419.90514

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC=CC=C3Cl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC=CC=C3Cl)N(C1=O)C)O

InChI

InChI=1S/C20H26ClN5O3/c1-13(27)8-6-7-11-26-18(28)16-17(25(3)20(26)29)23-19(24(16)2)22-12-14-9-4-5-10-15(14)21/h4-5,9-10,13,27H,6-8,11-12H2,1-3H3,(H,22,23)