8-[(4-chlorophenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=C(C=C3)Cl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=C(C=C3)Cl)N(C1=O)C)O

InChI

InChI=1S/C19H24ClN5O3/c1-12(26)5-3-4-10-25-17(27)15-16(24(2)19(25)28)23-18(22-15)21-11-13-6-8-14(20)9-7-13/h6-9,12,26H,3-5,10-11H2,1-2H3,(H2,21,22,23)