2-[8-(3-azanylpyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-2-yl]oxybenzamide

Systemtic Name: 2-[8-(3-azanylpyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxidanylidene-purin-2-yl]oxybenzamide Openeye Name: 2-[8-(3-aminopyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxo-purin-2-yl]oxybenzamide CAS Name: 2-[[8-(3-amino-1-pyrrolidinyl)-7-but-2-ynyl-1-methyl-6-oxo-2-purinyl]oxy]benzamide IUPAC Name: 2-[8-(3-aminopyrrolidin-1-yl)-7-but-2-ynyl-1-methyl-6-oxopurin-2-yl]oxybenzamide Traditional Name: 2-[8-(3-aminopyrrolidino)-7-but-2-ynyl-6-keto-1-methyl-purin-2-yl]oxybenzamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCC(C3)N)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCC(C3)N)N=C(N(C2=O)C)OC4=CC=CC=C4C(=O)N

InChI

InChI=1S/C21H23N7O3/c1-3-4-10-28-16-18(24-20(28)27-11-9-13(22)12-27)25-21(26(2)19(16)30)31-15-8-6-5-7-14(15)17(23)29/h5-8,13H,9-12,22H2,1-2H3,(H2,23,29)