2-[2-[(2-carbamimidoylpyrimidin-5-yl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(2-carbamimidoylpyrimidin-5-yl)carbamoyl]-6-methoxy-pyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(2-carbamimidoylpyrimidin-5-yl)carbamoyl]-6-methoxy-3-pyridyl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid CAS Name: 2-[2-[[(2-carbamimidoyl-5-pyrimidinyl)amino]-oxomethyl]-6-methoxy-3-pyridinyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(2-carbamimidoylpyrimidin-5-yl)carbamoyl]-6-methoxypyridin-3-yl]-5-(2,2-dimethylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(2-amidinopyrimidin-5-yl)carbamoyl]-6-methoxy-3-pyridyl]-5-(neopentylcarbamoyl)benzoic acid Formula: C25H27N7O5 MolecularWeight: 505.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CN=C(N=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=C(N=C(C=C2)OC)C(=O)NC3=CN=C(N=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C25H27N7O5/c1-25(2,3)12-30-22(33)13-5-6-15(17(9-13)24(35)36)16-7-8-18(37-4)32-19(16)23(34)31-14-10-28-21(20(26)27)29-11-14/h5-11H,12H2,1-4H3,(H3,26,27)(H,30,33)(H,31,34)(H,35,36)