methyl 2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(2-azanyl-6-chloranyl-pyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate CAS Name: 2-[4-(2-amino-6-chloro-4-pyrimidinyl)-1-piperazinyl]-2-(2-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2-chlorophenyl)acetate Traditional Name: 2-[4-(2-amino-6-chloro-pyrimidin-4-yl)piperazino]-2-(2-chlorophenyl)acetic acid methyl ester Formula: C17H19Cl2N5O2 MolecularWeight: 396.27106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCN(CC2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C17H19Cl2N5O2/c1-26-16(25)15(11-4-2-3-5-12(11)18)24-8-6-23(7-9-24)14-10-13(19)21-17(20)22-14/h2-5,10,15H,6-9H2,1H3,(H2,20,21,22)