3-(2-carbamimidoyl-3-phenylmethoxycarbonyl-phenyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(2-carbamimidoyl-3-phenylmethoxycarbonyl-phenyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-(3-benzyloxycarbonyl-2-carbamimidoyl-phenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 3-(2-carbamimidoyl-3-phenylmethoxycarbonylphenyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(2-carbamimidoyl-3-phenylmethoxycarbonylphenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-(2-amidino-3-carbobenzoxy-phenyl)-4H-pyrimidine-5-carboxylic acid Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN=CN1C2=CC=CC(=C2C(=N)N)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(=CN=CN1C2=CC=CC(=C2C(=N)N)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18N4O4/c21-18(22)17-15(20(27)28-11-13-5-2-1-3-6-13)7-4-8-16(17)24-10-14(19(25)26)9-23-12-24/h1-9,12H,10-11H2,(H3,21,22)(H,25,26)