methyl 4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[6-(oxolan-2-ylmethylamino)-9-(phenylmethyl)purin-2-yl]piperazine-1-carboxylate Openeye Name: methyl 4-[9-benzyl-6-(tetrahydrofuran-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate CAS Name: 4-[6-(2-oxolanylmethylamino)-9-(phenylmethyl)-2-purinyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[9-benzyl-6-(oxolan-2-ylmethylamino)purin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[9-benzyl-6-(tetrahydrofurfurylamino)purin-2-yl]piperazine-1-carboxylic acid methyl ester Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O3/c1-32-23(31)29-11-9-28(10-12-29)22-26-20(24-14-18-8-5-13-33-18)19-21(27-22)30(16-25-19)15-17-6-3-2-4-7-17/h2-4,6-7,16,18H,5,8-15H2,1H3,(H,24,26,27)