(4-nitrophenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl) 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl) 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-piperidinecarboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylic acid (4-nitrophenyl) ester Formula: C23H21N7O4 MolecularWeight: 459.45734

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N7O4/c1-2-12-29-15-25-20-21(24)26-19(27-22(20)29)5-3-4-16-10-13-28(14-11-16)23(31)34-18-8-6-17(7-9-18)30(32)33/h1,6-9,15-16H,4,10-14H2,(H2,24,26,27)