4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidine-5-carboxylic acid CAS Name: 4-(ethylamino)-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-benzylpiperazino)-4-(ethylamino)pyrimidine-5-carboxylic acid Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC=C1C(=O)O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-2-19-16-15(17(24)25)12-20-18(21-16)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,24,25)(H,19,20,21)