methyl 2-[6-[(4-methylphenyl)methylamino]-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)purin-9-yl]ethanoate

Systemtic Name: methyl 2-[6-[(4-methylphenyl)methylamino]-2-(4-morpholin-4-ylcarbonylpiperazin-1-yl)purin-9-yl]ethanoate Openeye Name: methyl 2-[2-[4-(morpholine-4-carbonyl)piperazin-1-yl]-6-(p-tolylmethylamino)purin-9-yl]acetate CAS Name: 2-[6-[(4-methylphenyl)methylamino]-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazinyl]-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[6-[(4-methylphenyl)methylamino]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]purin-9-yl]acetate Traditional Name: 2-[6-[(4-methylbenzyl)amino]-2-[4-(morpholine-4-carbonyl)piperazino]purin-9-yl]acetic acid methyl ester Formula: C25H32N8O4 MolecularWeight: 508.57278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC(=O)OC)N4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC(=O)OC)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C25H32N8O4/c1-18-3-5-19(6-4-18)15-26-22-21-23(33(17-27-21)16-20(34)36-2)29-24(28-22)30-7-9-31(10-8-30)25(35)32-11-13-37-14-12-32/h3-6,17H,7-16H2,1-2H3,(H,26,28,29)