tert-butyl 4-[7-but-2-ynyl-2-chloranyl-1-[3-(oxan-2-yloxy)propyl]-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-but-2-ynyl-2-chloranyl-1-[3-(oxan-2-yloxy)propyl]-6-oxidanylidene-purin-8-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-but-2-ynyl-2-chloro-6-oxo-1-(3-tetrahydropyran-2-yloxypropyl)purin-8-yl]piperazine-1-carboxylate CAS Name: 4-[7-but-2-ynyl-2-chloro-1-[3-(2-oxanyloxy)propyl]-6-oxo-8-purinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-but-2-ynyl-2-chloro-1-[3-(oxan-2-yloxy)propyl]-6-oxopurin-8-yl]piperazine-1-carboxylate Traditional Name: 4-[7-but-2-ynyl-2-chloro-6-keto-1-(3-tetrahydropyran-2-yloxypropyl)purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H37ClN6O5 MolecularWeight: 549.06218

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)CCCOC4CCCCO4)Cl

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)OC(C)(C)C)N=C(N(C2=O)CCCOC4CCCCO4)Cl

InChI

InChI=1S/C26H37ClN6O5/c1-5-6-11-32-20-21(29-24(32)30-13-15-31(16-14-30)25(35)38-26(2,3)4)28-23(27)33(22(20)34)12-9-18-37-19-10-7-8-17-36-19/h19H,7-18H2,1-4H3