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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-7-[(2S)-2-oxidanyl-3-prop-2-enoxy-propyl]purin-2-olate Openeye Name: 7-[(2S)-3-allyloxy-2-hydroxy-propyl]-8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 7-[(2S)-3-allyloxy-2-hydroxy-propyl]-8-[2-(diethylammonio)ethylamino]-6-keto-3-methyl-purin-2-olate Formula: C18H30N6O4 MolecularWeight: 394.4686

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC(COCC=C)O)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1C[C@@H](COCC=C)O)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C18H30N6O4/c1-5-10-28-12-13(25)11-24-14-15(22(4)18(27)21-16(14)26)20-17(24)19-8-9-23(6-2)7-3/h5,13,25H,1,6-12H2,2-4H3,(H,19,20)(H,21,26,27)/t13-/m0/s1