N-(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-methyl-6-oxidanylidene-9-phenyl-purin-1-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methyl-6-oxo-9-phenyl-purin-1-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(2-methyl-6-oxo-9-phenyl-1-purinyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(2-methyl-6-oxo-9-phenylpurin-1-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(6-keto-2-methyl-9-phenyl-purin-1-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H21N6O2+ MolecularWeight: 353.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1NC(=O)C[NH+]3CCCC3)N=CN2C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=O)N1NC(=O)C[NH+]3CCCC3)N=CN2C4=CC=CC=C4

InChI

InChI=1S/C18H20N6O2/c1-13-20-17-16(19-12-23(17)14-7-3-2-4-8-14)18(26)24(13)21-15(25)11-22-9-5-6-10-22/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,21,25)/p+1