2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)oxy]-1-methyl-cyclopropane-1-carboxylic acid

Systemtic Name: 2-[(7-but-2-ynyl-6-oxidanylidene-8-piperazin-1-yl-3H-purin-2-yl)oxy]-1-methyl-cyclopropane-1-carboxylic acid Openeye Name: 2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)oxy]-1-methyl-cyclopropanecarboxylic acid CAS Name: 2-[[7-but-2-ynyl-6-oxo-8-(1-piperazinyl)-3H-purin-2-yl]oxy]-1-methyl-1-cyclopropanecarboxylic acid IUPAC Name: 2-[(7-but-2-ynyl-6-oxo-8-piperazin-1-yl-3H-purin-2-yl)oxy]-1-methylcyclopropane-1-carboxylic acid Traditional Name: 2-[(7-but-2-ynyl-6-keto-8-piperazino-3H-purin-2-yl)oxy]-1-methyl-cyclopropanecarboxylic acid Formula: C18H22N6O4 MolecularWeight: 386.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=NC2=O)OC3CC3(C)C(=O)O)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(NC(=NC2=O)OC3CC3(C)C(=O)O)N=C1N4CCNCC4

InChI

InChI=1S/C18H22N6O4/c1-3-4-7-24-12-13(21-17(24)23-8-5-19-6-9-23)20-16(22-14(12)25)28-11-10-18(11,2)15(26)27/h11,19H,5-10H2,1-2H3,(H,26,27)(H,20,22,25)