methyl 2-[[6-(2-diphenylboranyloxyethylamino)purin-9-yl]methyl]prop-2-enoate

Systemtic Name: methyl 2-[[6-(2-diphenylboranyloxyethylamino)purin-9-yl]methyl]prop-2-enoate Openeye Name: methyl 2-[[6-(2-diphenylboranyloxyethylamino)purin-9-yl]methyl]prop-2-enoate CAS Name: 2-[[6-(2-diphenylboranyloxyethylamino)-9-purinyl]methyl]-2-propenoic acid methyl ester IUPAC Name: methyl 2-[[6-(2-diphenylboranyloxyethylamino)purin-9-yl]methyl]prop-2-enoate Traditional Name: 2-[[6-(2-diphenylboranyloxyethylamino)purin-9-yl]methyl]acrylic acid methyl ester Formula: C24H24BN5O3 MolecularWeight: 441.29006

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCNC3=NC=NC4=C3N=CN4CC(=C)C(=O)OC

Isomeric SMILES

B(C1=CC=CC=C1)(C2=CC=CC=C2)OCCNC3=NC=NC4=C3N=CN4CC(=C)C(=O)OC

InChI

InChI=1S/C24H24BN5O3/c1-18(24(31)32-2)15-30-17-29-21-22(27-16-28-23(21)30)26-13-14-33-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,16-17H,1,13-15H2,2H3,(H,26,27,28)