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

Systemtic Name: 1-methyl-9-(phenylmethyl)-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 9-benzyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-9-(phenylmethyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-benzyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 9-benzyl-1-methyl-3-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N6O2+ MolecularWeight: 423.53124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCCN(C4=N2)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCCN(C4=N2)CC5=CC=CC=C5

InChI

InChI=1S/C23H30N6O2/c1-25-20-19(21(30)29(23(25)31)16-15-26-11-6-3-7-12-26)28-14-8-13-27(22(28)24-20)17-18-9-4-2-5-10-18/h2,4-5,9-10H,3,6-8,11-17H2,1H3/p+1