piperidin-4-ylmethyl 2-[4-[[2-azanyl-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]ethanoate

Systemtic Name: piperidin-4-ylmethyl 2-[4-[[2-azanyl-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]ethanoate Openeye Name: 4-piperidylmethyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate CAS Name: 2-[4-[[2-amino-4-methyl-6-(pentylamino)-5-pyrimidinyl]methyl]phenyl]acetic acid 4-piperidinylmethyl ester IUPAC Name: piperidin-4-ylmethyl 2-[4-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]phenyl]acetate Traditional Name: 2-[4-[[2-amino-4-(amylamino)-6-methyl-pyrimidin-5-yl]methyl]phenyl]acetic acid 4-piperidylmethyl ester Formula: C25H37N5O2 MolecularWeight: 439.59358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1CC2=CC=C(C=C2)CC(=O)OCC3CCNCC3)C)N

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1CC2=CC=C(C=C2)CC(=O)OCC3CCNCC3)C)N

InChI

InChI=1S/C25H37N5O2/c1-3-4-5-12-28-24-22(18(2)29-25(26)30-24)15-19-6-8-20(9-7-19)16-23(31)32-17-21-10-13-27-14-11-21/h6-9,21,27H,3-5,10-17H2,1-2H3,(H3,26,28,29,30)