[3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-3-oxidanylidenebutan-2-yl]purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-7-[(2R)-3-oxidanylidenebutan-2-yl]purin-8-yl]methyl-dipropyl-azanium Openeye Name: [3-methyl-7-[(1R)-1-methyl-2-oxo-propyl]-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [3-methyl-2,6-dioxo-7-[(2R)-3-oxobutan-2-yl]-8-purinyl]methyl-dipropylammonium IUPAC Name: [3-methyl-2,6-dioxo-7-[(2R)-3-oxobutan-2-yl]purin-8-yl]methyl-dipropylazanium Traditional Name: [2,6-diketo-7-[(1R)-2-keto-1-methyl-propyl]-3-methyl-purin-8-yl]methyl-dipropyl-ammonium Formula: C17H28N5O3+ MolecularWeight: 350.43592

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1C(C)C(=O)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1[C@H](C)C(=O)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H27N5O3/c1-6-8-21(9-7-2)10-13-18-15-14(22(13)11(3)12(4)23)16(24)19-17(25)20(15)5/h11H,6-10H2,1-5H3,(H,19,24,25)/p+1/t11-/m1/s1