1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N6O3+ MolecularWeight: 439.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4CCCN(C4=N2)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4CCCN(C4=N2)CCC5=CC=CC=C5

InChI

InChI=1S/C23H30N6O3/c1-25-20-19(21(30)29(23(25)31)13-12-26-14-16-32-17-15-26)28-10-5-9-27(22(28)24-20)11-8-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3/p+1