5-[6-(4-aminophenyl)-3-azanyl-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 5-[6-(4-aminophenyl)-3-azanyl-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]thiazole-2-carboxylic acid CAS Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)-2-pyrazinyl]-2-thiazolecarboxylic acid IUPAC Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 5-[3-amino-6-(4-aminophenyl)-5-(4-carboxyphenyl)pyrazin-2-yl]thiazole-2-carboxylic acid Formula: C21H15N5O4S MolecularWeight: 433.4399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=CN=C(S3)C(=O)O)C4=CC=C(C=C4)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(N=C(C(=N2)N)C3=CN=C(S3)C(=O)O)C4=CC=C(C=C4)N)C(=O)O

InChI

InChI=1S/C21H15N5O4S/c22-13-7-5-11(6-8-13)15-16(10-1-3-12(4-2-10)20(27)28)26-18(23)17(25-15)14-9-24-19(31-14)21(29)30/h1-9H,22H2,(H2,23,26)(H,27,28)(H,29,30)