8-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[3-[4-(3-azanylpropyl)piperazin-1-yl]propylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[3-[4-(3-aminopropyl)-1-piperazinyl]propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[3-[4-(3-aminopropyl)piperazino]propylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C22H40N8O3 MolecularWeight: 464.6048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCCN3CCN(CC3)CCCN)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCCCN3CCN(CC3)CCCN)N(C1=O)C)O

InChI

InChI=1S/C22H40N8O3/c1-17(31)7-3-4-12-30-20(32)18-19(27(2)22(30)33)26-21(25-18)24-9-6-11-29-15-13-28(14-16-29)10-5-8-23/h17,31H,3-16,23H2,1-2H3,(H2,24,25,26)