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

Systemtic Name: [7-[(2-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [7-(2-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]methyl-dipropyl-ammonium Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H26ClN5O2/c1-4-10-25(11-5-2)13-16-22-18-17(19(27)23-20(28)24(18)3)26(16)12-14-8-6-7-9-15(14)21/h6-9H,4-5,10-13H2,1-3H3,(H,23,27,28)/p+1