2-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-phenylmethoxy-purin-9-yl]ethyl ethanoate

Systemtic Name: 2-[2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]-6-phenylmethoxy-purin-9-yl]ethyl ethanoate Openeye Name: 2-[6-benzyloxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]ethyl acetate CAS Name: acetic acid 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxy-9-purinyl]ethyl ester IUPAC Name: 2-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]-6-phenylmethoxypurin-9-yl]ethyl acetate Traditional Name: acetic acid 2-[6-benzoxy-2-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]ethyl ester Formula: C36H33N5O4 MolecularWeight: 599.67832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CC(=O)OCCN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C36H33N5O4/c1-26(42)44-23-22-41-25-37-32-33(41)38-35(39-34(32)45-24-27-12-6-3-7-13-27)40-36(28-14-8-4-9-15-28,29-16-10-5-11-17-29)30-18-20-31(43-2)21-19-30/h3-21,25H,22-24H2,1-2H3,(H,38,39,40)