ethyl ethanoate; 5-(4-ethyl-1-pyridin-3-ylsulfonyl-piperazin-2-yl)pyrimidine

Systemtic Name: ethyl ethanoate; 5-(4-ethyl-1-pyridin-3-ylsulfonyl-piperazin-2-yl)pyrimidine Openeye Name: ethyl acetate; 5-[4-ethyl-1-(3-pyridylsulfonyl)piperazin-2-yl]pyrimidine CAS Name: acetic acid ethyl ester; 5-[4-ethyl-1-(3-pyridinylsulfonyl)-2-piperazinyl]pyrimidine IUPAC Name: ethyl acetate; 5-(4-ethyl-1-pyridin-3-ylsulfonylpiperazin-2-yl)pyrimidine Traditional Name: acetic acid ethyl ester; 5-[4-ethyl-1-(3-pyridylsulfonyl)piperazin-2-yl]pyrimidine Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(C1)C2=CN=CN=C2)S(=O)(=O)C3=CN=CC=C3.CCOC(=O)C

Isomeric SMILES

CCN1CCN(C(C1)C2=CN=CN=C2)S(=O)(=O)C3=CN=CC=C3.CCOC(=O)C

InChI

InChI=1S/C15H19N5O2S.C4H8O2/c1-2-19-6-7-20(15(11-19)13-8-17-12-18-9-13)23(21,22)14-4-3-5-16-10-14;1-3-6-4(2)5/h3-5,8-10,12,15H,2,6-7,11H2,1H3;3H2,1-2H3