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

Systemtic Name: [(2S)-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl]-dipropyl-azanium Openeye Name: [(2S)-3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl]-dipropyl-ammonium CAS Name: [(2S)-3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl]-dipropylammonium IUPAC Name: [(2S)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-dipropylazanium Traditional Name: [(2S)-3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl]-dipropyl-ammonium Formula: C16H28N5O3+ MolecularWeight: 338.42522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N5O3/c1-5-7-20(8-6-2)9-12(22)10-21-11-17-14-13(21)15(23)19(4)16(24)18(14)3/h11-12,22H,5-10H2,1-4H3/p+1/t12-/m1/s1