(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[9-(oxan-2-yl)purin-6-yl]propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[9-(oxan-2-yl)purin-6-yl]propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(9-tetrahydropyran-2-ylpurin-6-yl)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[9-(2-oxanyl)-6-purinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[9-(oxan-2-yl)purin-6-yl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(9-tetrahydropyran-2-ylpurin-6-yl)propionic acid benzyl ester Formula: C25H31N5O5 MolecularWeight: 481.54414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31N5O5/c1-25(2,3)35-24(32)29-19(23(31)34-14-17-9-5-4-6-10-17)13-18-21-22(27-15-26-18)30(16-28-21)20-11-7-8-12-33-20/h4-6,9-10,15-16,19-20H,7-8,11-14H2,1-3H3,(H,29,32)