2-[5-cyano-2-methyl-6-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-2-methyl-6-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)-5-cyano-2-methyl-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[5-cyano-2-methyl-6-oxo-4-[4-(phenylmethyl)-1-piperazinyl]-1-pyrimidinyl]acetic acid IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)-5-cyano-2-methyl-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[4-(4-benzylpiperazino)-5-cyano-6-keto-2-methyl-pyrimidin-1-yl]acetic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3/c1-14-21-18(16(11-20)19(27)24(14)13-17(25)26)23-9-7-22(8-10-23)12-15-5-3-2-4-6-15/h2-6H,7-10,12-13H2,1H3,(H,25,26)