2-(cyclohexylmethylamino)-4-[[2-(phenylmethyl)phenyl]amino]pyrimidine-5-carboxylic acid

Systemtic Name: 2-(cyclohexylmethylamino)-4-[[2-(phenylmethyl)phenyl]amino]pyrimidine-5-carboxylic acid Openeye Name: 4-(2-benzylanilino)-2-(cyclohexylmethylamino)pyrimidine-5-carboxylic acid CAS Name: 2-(cyclohexylmethylamino)-4-[2-(phenylmethyl)anilino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-benzylanilino)-2-(cyclohexylmethylamino)pyrimidine-5-carboxylic acid Traditional Name: 4-(2-benzylanilino)-2-(cyclohexylmethylamino)pyrimidine-5-carboxylic acid Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=NC=C(C(=N2)NC3=CC=CC=C3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)CNC2=NC=C(C(=N2)NC3=CC=CC=C3CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H28N4O2/c30-24(31)21-17-27-25(26-16-19-11-5-2-6-12-19)29-23(21)28-22-14-8-7-13-20(22)15-18-9-3-1-4-10-18/h1,3-4,7-10,13-14,17,19H,2,5-6,11-12,15-16H2,(H,30,31)(H2,26,27,28,29)