[(2S)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl]-diethyl-ammonium Formula: C14H24N5O3+ MolecularWeight: 310.37206

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC[NH+](CC)C[C@H](CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C14H23N5O3/c1-5-18(6-2)7-10(20)8-19-9-15-12-11(19)13(21)17(4)14(22)16(12)3/h9-10,20H,5-8H2,1-4H3/p+1/t10-/m1/s1