2-[[4-[2-(ethylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrol-2-yl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[4-[2-(ethylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrol-2-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[4-[2-(ethylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[4-[2-(ethylamino)-5-methyl-4-pyrimidinyl]-1H-pyrrol-2-yl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[4-[2-(ethylamino)-5-methylpyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenylacetic acid Traditional Name: 2-[[4-[2-(ethylamino)-5-methyl-pyrimidin-4-yl]-1H-pyrrole-2-carbonyl]amino]-2-phenyl-acetic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CCNC1=NC=C(C(=N1)C2=CNC(=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C20H21N5O3/c1-3-21-20-23-10-12(2)16(25-20)14-9-15(22-11-14)18(26)24-17(19(27)28)13-7-5-4-6-8-13/h4-11,17,22H,3H2,1-2H3,(H,24,26)(H,27,28)(H,21,23,25)