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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-7-[(1R)-1-phenylethyl]purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-7-[(1R)-1-phenylethyl]purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-7-[(1R)-1-phenylethyl]-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxo-7-[(1R)-1-phenylethyl]purin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-6-keto-3-methyl-7-[(1R)-1-phenylethyl]purin-2-olate Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1C(C)C3=CC=CC=C3)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1[C@H](C)C3=CC=CC=C3)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C20H28N6O2/c1-5-25(6-2)13-12-21-19-22-17-16(18(27)23-20(28)24(17)4)26(19)14(3)15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3,(H,21,22)(H,23,27,28)/t14-/m1/s1