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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxo-purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-6-keto-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-purin-2-olate Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CCC3=CC=C(C=C3)OC)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C21H30N6O3/c1-5-26(6-2)14-12-22-20-23-18-17(19(28)24-21(29)25(18)3)27(20)13-11-15-7-9-16(30-4)10-8-15/h7-10H,5-6,11-14H2,1-4H3,(H,22,23)(H,24,28,29)