8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-(naphthalen-1-ylmethyl)-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-(naphthalen-1-ylmethyl)-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-7-(1-naphthylmethyl)-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-7-(1-naphthalenylmethyl)-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-(naphthalen-1-ylmethyl)-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-6-keto-3-methyl-7-(1-naphthylmethyl)purin-2-olate Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C23H28N6O2/c1-4-28(5-2)14-13-24-22-25-20-19(21(30)26-23(31)27(20)3)29(22)15-17-11-8-10-16-9-6-7-12-18(16)17/h6-12H,4-5,13-15H2,1-3H3,(H,24,25)(H,26,30,31)