diethyl-[2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]amino]ethyl]azanium

Systemtic Name: diethyl-[2-[[3-methyl-2,6-bis(oxidanylidene)-7-phenethyl-purin-8-yl]amino]ethyl]azanium Openeye Name: diethyl-[2-[(3-methyl-2,6-dioxo-7-phenethyl-purin-8-yl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(3-methyl-2,6-dioxo-7-phenethyl-8-purinyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(3-methyl-2,6-dioxo-7-phenethylpurin-8-yl)amino]ethyl]azanium Traditional Name: 2-[(2,6-diketo-3-methyl-7-phenethyl-purin-8-yl)amino]ethyl-diethyl-ammonium Formula: C20H29N6O2+ MolecularWeight: 385.48326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H28N6O2/c1-4-25(5-2)14-12-21-19-22-17-16(18(27)23-20(28)24(17)3)26(19)13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,21,22)(H,23,27,28)/p+1