(3S)-9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-3-(6-methoxypyridin-3-yl)nonanoic acid

Systemtic Name: (3S)-9-[6-azanyl-2-(ethylamino)pyrimidin-4-yl]-3-(6-methoxypyridin-3-yl)nonanoic acid Openeye Name: (3S)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-(6-methoxy-3-pyridyl)nonanoic acid CAS Name: (3S)-9-[6-amino-2-(ethylamino)-4-pyrimidinyl]-3-(6-methoxy-3-pyridinyl)nonanoic acid IUPAC Name: (3S)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-(6-methoxypyridin-3-yl)nonanoic acid Traditional Name: (3S)-9-[6-amino-2-(ethylamino)pyrimidin-4-yl]-3-(6-methoxy-3-pyridyl)pelargonic acid Formula: C21H31N5O3 MolecularWeight: 401.50254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=CC(=N1)N)CCCCCCC(CC(=O)O)C2=CN=C(C=C2)OC

Isomeric SMILES

CCNC1=NC(=CC(=N1)N)CCCCCC[C@@H](CC(=O)O)C2=CN=C(C=C2)OC

InChI

InChI=1S/C21H31N5O3/c1-3-23-21-25-17(13-18(22)26-21)9-7-5-4-6-8-15(12-20(27)28)16-10-11-19(29-2)24-14-16/h10-11,13-15H,3-9,12H2,1-2H3,(H,27,28)(H3,22,23,25,26)/t15-/m0/s1