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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1OC(=O)CCl)N=CN=C2NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC2=C(C1OC(=O)CCl)N=CN=C2NC3=CC=C(C=C3)C#N

InChI

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