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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-[(4-methylphenyl)methyl]-6-oxidanylidene-purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-7-(p-tolylmethyl)purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-7-[(4-methylphenyl)methyl]-6-oxo-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-7-[(4-methylphenyl)methyl]-6-oxopurin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-6-keto-3-methyl-7-(4-methylbenzyl)purin-2-olate Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O2/c1-5-25(6-2)12-11-21-19-22-17-16(18(27)23-20(28)24(17)4)26(19)13-15-9-7-14(3)8-10-15/h7-10H,5-6,11-13H2,1-4H3,(H,21,22)(H,23,27,28)