1-phenyl-2-[[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-phenyl-2-[[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-phenyl-2-[[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]cyclopropanecarboxylic acid CAS Name: 2-[[oxo-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenyl]methyl]amino]-1-phenyl-1-cyclopropanecarboxylic acid IUPAC Name: 1-phenyl-2-[[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-phenyl-2-[[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoyl]amino]cyclopropanecarboxylic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC2=CC=CC=C2C(=O)NC3CC3(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CNC(=NC1)NC2=CC=CC=C2C(=O)NC3CC3(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H22N4O3/c26-18(15-9-4-5-10-16(15)24-20-22-11-6-12-23-20)25-17-13-21(17,19(27)28)14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2,(H,25,26)(H,27,28)(H2,22,23,24)