methyl 2-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methylamino]-2-methyl-propanoate CAS Name: 2-[[6-[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-phenyl-7H-purin-8-yl]methylamino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methylamino]-2-methylpropanoate Traditional Name: 2-methyl-2-[[6-[(2R)-2-methylolpyrrolidino]-2-phenyl-7H-purin-8-yl]methylamino]propionic acid methyl ester Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NCC1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)N4CCCC4CO

Isomeric SMILES

CC(C)(C(=O)OC)NCC1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)N4CCC[C@@H]4CO

InChI

InChI=1S/C22H28N6O3/c1-22(2,21(30)31-3)23-12-16-24-17-19(25-16)26-18(14-8-5-4-6-9-14)27-20(17)28-11-7-10-15(28)13-29/h4-6,8-9,15,23,29H,7,10-13H2,1-3H3,(H,24,25,26,27)/t15-/m1/s1