[7-[(4-fluorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-[(4-fluorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [7-[(4-fluorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [7-[(4-fluorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [7-[(4-fluorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [7-(4-fluorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]methyl-dipropyl-ammonium Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H26FN5O2/c1-4-10-25(11-5-2)13-16-22-18-17(19(27)23-20(28)24(18)3)26(16)12-14-6-8-15(21)9-7-14/h6-9H,4-5,10-13H2,1-3H3,(H,23,27,28)/p+1