4-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-purin-7-yl]butyl ethanoate

Systemtic Name: 4-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-purin-7-yl]butyl ethanoate Openeye Name: 4-[2-acetamido-6-(2,4,6-triisopropylphenyl)sulfonyloxy-purin-7-yl]butyl acetate CAS Name: acetic acid 4-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxy-7-purinyl]butyl ester IUPAC Name: 4-[2-acetamido-6-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxypurin-7-yl]butyl acetate Traditional Name: acetic acid 4-[2-acetamido-6-(2,4,6-triisopropylphenyl)sulfonyloxy-purin-7-yl]butyl ester Formula: C28H39N5O6S MolecularWeight: 573.70416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC3=C2N(C=N3)CCCCOC(=O)C)NC(=O)C)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=NC(=NC3=C2N(C=N3)CCCCOC(=O)C)NC(=O)C)C(C)C

InChI

InChI=1S/C28H39N5O6S/c1-16(2)21-13-22(17(3)4)25(23(14-21)18(5)6)40(36,37)39-27-24-26(31-28(32-27)30-19(7)34)29-15-33(24)11-9-10-12-38-20(8)35/h13-18H,9-12H2,1-8H3,(H,30,31,32,34)