tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[9-[(E)-3-phenylprop-1-enyl]purin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[9-[(E)-3-phenylprop-1-enyl]purin-6-yl]carbamate Openeye Name: tert-butyl N-tert-butoxycarbonyl-N-[9-[(E)-3-phenylprop-1-enyl]purin-6-yl]carbamate CAS Name: N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-[9-[(E)-3-phenylprop-1-enyl]-6-purinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[9-[(E)-3-phenylprop-1-enyl]purin-6-yl]carbamate Traditional Name: N-tert-butoxycarbonyl-N-[9-[(E)-3-phenylprop-1-enyl]purin-6-yl]carbamic acid tert-butyl ester Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=NC2=C1N=CN2C=CCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=NC2=C1N=CN2/C=C/CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H29N5O4/c1-23(2,3)32-21(30)29(22(31)33-24(4,5)6)20-18-19(25-15-26-20)28(16-27-18)14-10-13-17-11-8-7-9-12-17/h7-12,14-16H,13H2,1-6H3/b14-10+