[3-methyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium

Systemtic Name: [3-methyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]methyl-dipropyl-azanium Openeye Name: [3-methyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]methyl-dipropyl-ammonium CAS Name: [3-methyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]methyl-dipropylammonium IUPAC Name: [3-methyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]methyl-dipropylazanium Traditional Name: [2,6-diketo-3-methyl-7-(1-naphthylmethyl)purin-8-yl]methyl-dipropyl-ammonium Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

Isomeric SMILES

CCC[NH+](CCC)CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H29N5O2/c1-4-13-28(14-5-2)16-20-25-22-21(23(30)26-24(31)27(22)3)29(20)15-18-11-8-10-17-9-6-7-12-19(17)18/h6-12H,4-5,13-16H2,1-3H3,(H,26,30,31)/p+1