ethyl 4-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-azanyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[5-amino-6-(3-pyridinylmethylamino)-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23N7O2 MolecularWeight: 357.41022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NCC3=CN=CC=C3)N

InChI

InChI=1S/C17H23N7O2/c1-2-26-17(25)24-8-6-23(7-9-24)16-14(18)15(21-12-22-16)20-11-13-4-3-5-19-10-13/h3-5,10,12H,2,6-9,11,18H2,1H3,(H,20,21,22)