3-methyl-8-(naphthalen-1-ylmethylamino)-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-(naphthalen-1-ylmethylamino)-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3-methyl-8-(1-naphthylmethylamino)-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3-methyl-8-(1-naphthalenylmethylamino)-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3-methyl-8-(naphthalen-1-ylmethylamino)-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3-methyl-8-(1-naphthylmethylamino)-7H-purine-2,6-quinone Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC4=CC=CC=C43)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC=CC4=CC=CC=C43)N(C1=O)C)O

InChI

InChI=1S/C23H27N5O3/c1-15(29)8-5-6-13-28-21(30)19-20(27(2)23(28)31)26-22(25-19)24-14-17-11-7-10-16-9-3-4-12-18(16)17/h3-4,7,9-12,15,29H,5-6,8,13-14H2,1-2H3,(H2,24,25,26)