2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[(1R)-1-phenylethyl]purin-8-yl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7-[(1R)-1-phenylethyl]purin-8-yl]amino]ethyl-diethyl-azanium Openeye Name: 2-[[1,3-dimethyl-2,6-dioxo-7-[(1R)-1-phenylethyl]purin-8-yl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-[(1R)-1-phenylethyl]-8-purinyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1,3-dimethyl-2,6-dioxo-7-[(1R)-1-phenylethyl]purin-8-yl]amino]ethyl-diethylazanium Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-[(1R)-1-phenylethyl]purin-8-yl]amino]ethyl-diethyl-ammonium Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1[C@H](C)C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C21H30N6O2/c1-6-26(7-2)14-13-22-20-23-18-17(19(28)25(5)21(29)24(18)4)27(20)15(3)16-11-9-8-10-12-16/h8-12,15H,6-7,13-14H2,1-5H3,(H,22,23)/p+1/t15-/m1/s1