2-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]-4-(isopropylamino)pyrimidine-5-carboxylic acid CAS Name: 2-[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]-4-(propan-2-ylamino)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(2-ethoxy-2-keto-ethyl)piperazino]-4-(isopropylamino)pyrimidine-5-carboxylic acid Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C2=NC=C(C(=N2)NC(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC=C(C(=N2)NC(C)C)C(=O)O

InChI

InChI=1S/C16H25N5O4/c1-4-25-13(22)10-20-5-7-21(8-6-20)16-17-9-12(15(23)24)14(19-16)18-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,23,24)(H,17,18,19)