2-[4-[(4-carbamimidoylphenyl)carbamoyl]-2-methyl-pyrimidin-5-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-2-methyl-pyrimidin-5-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-2-methyl-pyrimidin-5-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[4-[(4-carbamimidoylanilino)-oxomethyl]-2-methyl-5-pyrimidinyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[4-[(4-carbamimidoylphenyl)carbamoyl]-2-methylpyrimidin-5-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[4-[(4-amidinophenyl)carbamoyl]-2-methyl-pyrimidin-5-yl]-5-(neopentylcarbamoyl)benzoic acid Formula: C26H28N6O4 MolecularWeight: 488.53832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(C=C(C=C3)C(=O)NCC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(C=C(C=C3)C(=O)NCC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H28N6O4/c1-14-29-12-20(21(31-14)24(34)32-17-8-5-15(6-9-17)22(27)28)18-10-7-16(11-19(18)25(35)36)23(33)30-13-26(2,3)4/h5-12H,13H2,1-4H3,(H3,27,28)(H,30,33)(H,32,34)(H,35,36)