N-[4-[2,4-bis(azanyl)-6-(3-methylbutoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide

Systemtic Name: N-[4-[2,4-bis(azanyl)-6-(3-methylbutoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide Openeye Name: N-[4-[2,4-diamino-6-(isopentyloxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide CAS Name: N-[4-[2,4-diamino-6-(3-methylbutoxymethyl)-5-pyrimidinyl]phenyl]cyclopentanecarboxamide IUPAC Name: N-[4-[2,4-diamino-6-(3-methylbutoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide Traditional Name: N-[4-[2,4-diamino-6-(isoamoxymethyl)pyrimidin-5-yl]phenyl]cyclopentanecarboxamide Formula: C22H31N5O2 MolecularWeight: 397.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NC(=O)C3CCCC3

Isomeric SMILES

CC(C)CCOCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)NC(=O)C3CCCC3

InChI

InChI=1S/C22H31N5O2/c1-14(2)11-12-29-13-18-19(20(23)27-22(24)26-18)15-7-9-17(10-8-15)25-21(28)16-5-3-4-6-16/h7-10,14,16H,3-6,11-13H2,1-2H3,(H,25,28)(H4,23,24,26,27)