ethyl 4-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 4-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclohexene-1-carboxylate Openeye Name: ethyl 4-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclohexene-1-carboxylate CAS Name: 4-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]-9-purinyl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-[[(4-methoxyphenyl)-diphenylmethyl]amino]purin-9-yl]cyclohexene-1-carboxylate Traditional Name: 4-[6-[[(4-methoxyphenyl)-diphenyl-methyl]amino]purin-9-yl]cyclohexene-1-carboxylic acid ethyl ester Formula: C34H33N5O3 MolecularWeight: 559.65752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2N=CN=C3NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2N=CN=C3NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C34H33N5O3/c1-3-42-33(40)24-14-18-28(19-15-24)39-23-37-30-31(35-22-36-32(30)39)38-34(25-10-6-4-7-11-25,26-12-8-5-9-13-26)27-16-20-29(41-2)21-17-27/h4-14,16-17,20-23,28H,3,15,18-19H2,1-2H3,(H,35,36,38)