2-methoxy-1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-methoxy-ethanone CAS Name: 2-methoxy-1-[4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazino]-2-methoxy-ethanone Formula: C24H31N7O3 MolecularWeight: 465.54804

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

COCC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC4CCCO4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C24H31N7O3/c1-33-16-20(32)29-9-11-30(12-10-29)24-27-22(25-14-19-8-5-13-34-19)21-23(28-24)31(17-26-21)15-18-6-3-2-4-7-18/h2-4,6-7,17,19H,5,8-16H2,1H3,(H,25,27,28)