[4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-chloranylethanoate

Systemtic Name: [4-[(4-cyanophenyl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-chloranylethanoate Openeye Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester IUPAC Name: [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [4-(4-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl] ester Formula: C16H13ClN4O2 MolecularWeight: 328.75302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1OC(=O)CCl)C(=NC=N2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC2=C(C1OC(=O)CCl)C(=NC=N2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H13ClN4O2/c17-7-14(22)23-13-6-5-12-15(13)16(20-9-19-12)21-11-3-1-10(8-18)2-4-11/h1-4,9,13H,5-7H2,(H,19,20,21)