4-[[4-azanyl-6-(cyclohexylmethoxy)-5-methanoyl-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-azanyl-6-(cyclohexylmethoxy)-5-methanoyl-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-formyl-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-formyl-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-formylpyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-amino-6-(cyclohexylmethoxy)-5-formyl-pyrimidin-2-yl]amino]benzoic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC(=C2C=O)N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC(=C2C=O)N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H22N4O4/c20-16-15(10-24)17(27-11-12-4-2-1-3-5-12)23-19(22-16)21-14-8-6-13(7-9-14)18(25)26/h6-10,12H,1-5,11H2,(H,25,26)(H3,20,21,22,23)