8-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-8-[2-(1H-indol-3-yl)ethylamino]-3-methyl-7H-purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-8-[2-(1H-indol-3-yl)ethylamino]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-8-[2-(1H-indol-3-yl)ethylamino]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-8-[2-(1H-indol-3-yl)ethylamino]-3-methyl-7H-purine-2,6-quinone Formula: C22H28N6O3 MolecularWeight: 424.49612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCC3=CNC4=CC=CC=C43)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCC3=CNC4=CC=CC=C43)N(C1=O)C)O

InChI

InChI=1S/C22H28N6O3/c1-14(29)7-5-6-12-28-20(30)18-19(27(2)22(28)31)26-21(25-18)23-11-10-15-13-24-17-9-4-3-8-16(15)17/h3-4,8-9,13-14,24,29H,5-7,10-12H2,1-2H3,(H2,23,25,26)