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

Systemtic Name: 8-[2-(dimethylazaniumyl)ethylamino]-7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(dimethylammonio)ethylamino]-7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(dimethylammonio)ethylamino]-7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(dimethylazaniumyl)ethylamino]-7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(dimethylammonio)ethylamino]-7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-6-keto-3-methyl-purin-2-olate Formula: C21H30N6O4 MolecularWeight: 430.5007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O4/c1-5-14-7-6-8-16(11-14)31-13-15(28)12-27-17-18(26(4)21(30)24-19(17)29)23-20(27)22-9-10-25(2)3/h6-8,11,15,28H,5,9-10,12-13H2,1-4H3,(H,22,23)(H,24,29,30)/t15-/m1/s1