ethyl 2-(pyrimidin-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(pyrimidin-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate Openeye Name: ethyl 2-(pyrimidin-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate CAS Name: 2-(2-pyrimidinylamino)-3-cyclohepta[b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(pyrimidin-2-ylamino)cyclohepta[b]pyrrole-3-carboxylate Traditional Name: 2-(2-pyrimidylamino)cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester Formula: C16H14N4O2 MolecularWeight: 294.30796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=NC=CC=N3

InChI

InChI=1S/C16H14N4O2/c1-2-22-15(21)13-11-7-4-3-5-8-12(11)19-14(13)20-16-17-9-6-10-18-16/h3-10H,2H2,1H3,(H,17,18,19,20)