ethyl 2-[4-[2-(phenethylamino)-9-propan-2-yl-purin-6-yl]piperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-(phenethylamino)-9-propan-2-yl-purin-6-yl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[9-isopropyl-2-(phenethylamino)purin-6-yl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-(phenethylamino)-9-propan-2-yl-6-purinyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(phenethylamino)-9-propan-2-ylpurin-6-yl]piperazin-1-yl]acetate Traditional Name: 2-[4-[9-isopropyl-2-(phenethylamino)purin-6-yl]piperazino]acetic acid ethyl ester Formula: C24H33N7O2 MolecularWeight: 451.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=NC(=NC3=C2N=CN3C(C)C)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC(=NC3=C2N=CN3C(C)C)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H33N7O2/c1-4-33-20(32)16-29-12-14-30(15-13-29)22-21-23(31(17-26-21)18(2)3)28-24(27-22)25-11-10-19-8-6-5-7-9-19/h5-9,17-18H,4,10-16H2,1-3H3,(H,25,27,28)