[7-[(2R)-1-ethoxy-1-oxidanylidene-butan-2-yl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-[(2R)-1-ethoxy-1-oxidanylidene-butan-2-yl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [7-[(1R)-1-ethoxycarbonylpropyl]-3-methyl-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [7-[(2R)-1-ethoxy-1-oxobutan-2-yl]-3-methyl-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [7-[(2R)-1-ethoxy-1-oxobutan-2-yl]-3-methyl-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [7-[(1R)-1-carbethoxypropyl]-2,6-diketo-3-methyl-purin-8-yl]methyl-dipropyl-ammonium Formula: C19H32N5O4+ MolecularWeight: 394.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N5O4/c1-6-10-23(11-7-2)12-14-20-16-15(17(25)21-19(27)22(16)5)24(14)13(8-3)18(26)28-9-4/h13H,6-12H2,1-5H3,(H,21,25,27)/p+1/t13-/m1/s1