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

Systemtic Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxidanylidene-7-(2-phenoxyethyl)purin-2-olate Openeye Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-7-(2-phenoxyethyl)purin-2-olate CAS Name: 8-[2-(diethylammonio)ethylamino]-3-methyl-6-oxo-7-(2-phenoxyethyl)-2-purinolate IUPAC Name: 8-[2-(diethylazaniumyl)ethylamino]-3-methyl-6-oxo-7-(2-phenoxyethyl)purin-2-olate Traditional Name: 8-[2-(diethylammonio)ethylamino]-6-keto-3-methyl-7-(2-phenoxyethyl)purin-2-olate Formula: C20H28N6O3 MolecularWeight: 400.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C20H28N6O3/c1-4-25(5-2)12-11-21-19-22-17-16(18(27)23-20(28)24(17)3)26(19)13-14-29-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H,21,22)(H,23,27,28)