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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC[NH+](CC)CCNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C21H30N6O3/c1-4-26(5-2)14-12-22-20-23-18-17(19(28)24-21(29)25(18)3)27(20)13-9-15-30-16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-15H2,1-3H3,(H,22,23)(H,24,28,29)