8-[2-(diethylazaniumyl)ethylamino]-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-6-oxidanylidene-purin-2-olate

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-6-keto-7-[2-keto-2-(4-methoxyphenyl)ethyl]-3-methyl-purin-2-olate Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)OC)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)OC)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C21H28N6O4/c1-5-26(6-2)12-11-22-20-23-18-17(19(29)24-21(30)25(18)3)27(20)13-16(28)14-7-9-15(31-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,22,23)(H,24,29,30)