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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl-[(1R)-1-phenylethyl]azanium Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl-[(1R)-1-phenylethyl]ammonium CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl-[(1R)-1-phenylethyl]azanium Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl-[(1R)-1-phenylethyl]ammonium Formula: C17H22N5O2+ MolecularWeight: 328.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C17H21N5O2/c1-12(13-7-5-4-6-8-13)18-9-10-22-16(23)14-15(19-11-20(14)2)21(3)17(22)24/h4-8,11-12,18H,9-10H2,1-3H3/p+1/t12-/m1/s1