3-methyl-8-(2-methylpropylamino)-6-oxidanylidene-7-(3-phenoxypropyl)purin-2-olate

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-6-oxidanylidene-7-(3-phenoxypropyl)purin-2-olate Openeye Name: 8-(isobutylamino)-3-methyl-6-oxo-7-(3-phenoxypropyl)purin-2-olate CAS Name: 3-methyl-8-(2-methylpropylamino)-6-oxo-7-(3-phenoxypropyl)-2-purinolate IUPAC Name: 3-methyl-8-(2-methylpropylamino)-6-oxo-7-(3-phenoxypropyl)purin-2-olate Traditional Name: 8-(isobutylamino)-6-keto-3-methyl-7-(3-phenoxypropyl)purin-2-olate Formula: C19H24N5O3- MolecularWeight: 370.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CCCOC3=CC=CC=C3)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C19H25N5O3/c1-13(2)12-20-18-21-16-15(17(25)22-19(26)23(16)3)24(18)10-7-11-27-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,20,21)(H,22,25,26)/p-1