aziridine; 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid; N-ethylethanamine

Systemtic Name: aziridine; 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid; N-ethylethanamine Openeye Name: aziridine; 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid; N-ethylethanamine CAS Name: aziridine; 4-[(5-cyano-4-phenyl-2-pyrimidinyl)amino]benzoic acid; N-ethylethanamine IUPAC Name: aziridine; 4-[(5-cyano-4-phenylpyrimidin-2-yl)amino]benzoic acid; N-ethylethanamine Traditional Name: 4-[(5-cyano-4-phenyl-pyrimidin-2-yl)amino]benzoic acid; diethylamine; ethylenimine Formula: C24H28N6O2 MolecularWeight: 432.51812

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.C1CN1.C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCNCC.C1CN1.C1=CC=C(C=C1)C2=NC(=NC=C2C#N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H12N4O2.C4H11N.C2H5N/c19-10-14-11-20-18(22-16(14)12-4-2-1-3-5-12)21-15-8-6-13(7-9-15)17(23)24;1-3-5-4-2;1-2-3-1/h1-9,11H,(H,23,24)(H,20,21,22);5H,3-4H2,1-2H3;3H,1-2H2