[6-azanyl-2-[cyclopropyl(methyl)carbamoyl]-9-(phenylmethyl)purin-8-yl] morpholine-4-carboxylate

Systemtic Name: [6-azanyl-2-[cyclopropyl(methyl)carbamoyl]-9-(phenylmethyl)purin-8-yl] morpholine-4-carboxylate Openeye Name: [6-amino-9-benzyl-2-[cyclopropyl(methyl)carbamoyl]purin-8-yl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [6-amino-2-[[cyclopropyl(methyl)amino]-oxomethyl]-9-(phenylmethyl)-8-purinyl] ester IUPAC Name: [6-amino-9-benzyl-2-[cyclopropyl(methyl)carbamoyl]purin-8-yl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [6-amino-9-benzyl-2-[cyclopropyl(methyl)carbamoyl]purin-8-yl] ester Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CC1)C(=O)C2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)OC(=O)N5CCOCC5

Isomeric SMILES

CN(C1CC1)C(=O)C2=NC3=C(C(=N2)N)N=C(N3CC4=CC=CC=C4)OC(=O)N5CCOCC5

InChI

InChI=1S/C22H25N7O4/c1-27(15-7-8-15)20(30)18-25-17(23)16-19(26-18)29(13-14-5-3-2-4-6-14)21(24-16)33-22(31)28-9-11-32-12-10-28/h2-6,15H,7-13H2,1H3,(H2,23,25,26)