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

Systemtic Name: 2-phenylmethoxyethyl 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]piperidine-1-carboxylate Openeye Name: 2-benzyloxyethyl 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 2-phenylmethoxyethyl ester IUPAC Name: 2-phenylmethoxyethyl 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 2-benzoxyethyl ester Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OCCOCC4=CC=CC=C4

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCN(CC3)C(=O)OCCOCC4=CC=CC=C4

InChI

InChI=1S/C26H28N6O3/c1-2-13-32-19-28-23-24(27)29-22(30-25(23)32)10-6-9-20-11-14-31(15-12-20)26(33)35-17-16-34-18-21-7-4-3-5-8-21/h1,3-5,7-8,19-20H,9,11-18H2,(H2,27,29,30)