2-[4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[4-(ethylamino)-2-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidin-5-yl]acetic acid CAS Name: 2-[4-(ethylamino)-2-[4-(phenylmethyl)-1-piperazinyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-4-(ethylamino)pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-(4-benzylpiperazino)-4-(ethylamino)pyrimidin-5-yl]acetic acid Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1CC(=O)O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=NC=C1CC(=O)O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H25N5O2/c1-2-20-18-16(12-17(25)26)13-21-19(22-18)24-10-8-23(9-11-24)14-15-6-4-3-5-7-15/h3-7,13H,2,8-12,14H2,1H3,(H,25,26)(H,20,21,22)