8-(butylamino)-3-methyl-6-oxidanylidene-7-propan-2-yl-purin-2-olate

Systemtic Name: 8-(butylamino)-3-methyl-6-oxidanylidene-7-propan-2-yl-purin-2-olate Openeye Name: 8-(butylamino)-7-isopropyl-3-methyl-6-oxo-purin-2-olate CAS Name: 8-(butylamino)-3-methyl-6-oxo-7-propan-2-yl-2-purinolate IUPAC Name: 8-(butylamino)-3-methyl-6-oxo-7-propan-2-ylpurin-2-olate Traditional Name: 8-(butylamino)-7-isopropyl-6-keto-3-methyl-purin-2-olate Formula: C13H20N5O2- MolecularWeight: 278.3302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1C(C)C)C(=O)N=C(N2C)[O-]

Isomeric SMILES

CCCCNC1=NC2=C(N1C(C)C)C(=O)N=C(N2C)[O-]

InChI

InChI=1S/C13H21N5O2/c1-5-6-7-14-12-15-10-9(18(12)8(2)3)11(19)16-13(20)17(10)4/h8H,5-7H2,1-4H3,(H,14,15)(H,16,19,20)/p-1