4-(5-cyclohexyl-2-phenylazanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(5-cyclohexyl-2-phenylazanyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-anilino-5-cyclohexyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-anilino-5-cyclohexyl-4-pyrimidinyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-anilino-5-cyclohexylpyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(2-anilino-5-cyclohexyl-pyrimidin-4-yl)-1H-pyrrole-2-carboxylic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CN=C(N=C2C3=CNC(=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-20(27)18-11-15(12-22-18)19-17(14-7-3-1-4-8-14)13-23-21(25-19)24-16-9-5-2-6-10-16/h2,5-6,9-14,22H,1,3-4,7-8H2,(H,26,27)(H,23,24,25)