3-methyl-6-oxidanylidene-8-(phenethylamino)-7-propyl-purin-2-olate

Systemtic Name: 3-methyl-6-oxidanylidene-8-(phenethylamino)-7-propyl-purin-2-olate Openeye Name: 3-methyl-6-oxo-8-(phenethylamino)-7-propyl-purin-2-olate CAS Name: 3-methyl-6-oxo-8-(phenethylamino)-7-propyl-2-purinolate IUPAC Name: 3-methyl-6-oxo-8-(phenethylamino)-7-propylpurin-2-olate Traditional Name: 6-keto-3-methyl-8-(phenethylamino)-7-propyl-purin-2-olate Formula: C17H20N5O2- MolecularWeight: 326.373

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=NC2=O)[O-])C

Isomeric SMILES

CCCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=NC2=O)[O-])C

InChI

InChI=1S/C17H21N5O2/c1-3-11-22-13-14(21(2)17(24)20-15(13)23)19-16(22)18-10-9-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,18,19)(H,20,23,24)/p-1