ethyl 4-azanyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-(4-phenyl-1-piperazinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(4-phenylpiperazino)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N5O2 MolecularWeight: 327.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2/c1-2-24-16(23)14-12-19-17(20-15(14)18)22-10-8-21(9-11-22)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,18,19,20)