[7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [7-[(2,5-dimethylphenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [7-(2,5-dimethylbenzyl)-2,6-diketo-3-methyl-purin-8-yl]methyl-dipropyl-ammonium Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O2/c1-6-10-26(11-7-2)14-18-23-20-19(21(28)24-22(29)25(20)5)27(18)13-17-12-15(3)8-9-16(17)4/h8-9,12H,6-7,10-11,13-14H2,1-5H3,(H,24,28,29)/p+1