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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-purin-2-olate Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-purin-2-olate CAS Name: 7-[(4-chlorophenyl)methyl]-8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-2-purinolate IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxopurin-2-olate Traditional Name: 7-(4-chlorobenzyl)-8-[2-(diethylammonio)ethylamino]-6-keto-3-methyl-purin-2-olate Formula: C19H25ClN6O2 MolecularWeight: 404.8938

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C19H25ClN6O2/c1-4-25(5-2)11-10-21-18-22-16-15(17(27)23-19(28)24(16)3)26(18)12-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,21,22)(H,23,27,28)