8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-6-keto-3-methyl-purin-2-olate Formula: C23H34N6O4 MolecularWeight: 458.55386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCC[NH+](CC)CC)N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NCC[NH+](CC)CC)N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C23H34N6O4/c1-5-16-9-8-10-18(13-16)33-15-17(30)14-29-19-20(27(4)23(32)26-21(19)31)25-22(29)24-11-12-28(6-2)7-3/h8-10,13,17,30H,5-7,11-12,14-15H2,1-4H3,(H,24,25)(H,26,31,32)/t17-/m0/s1