4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-6-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]pyrimidine-5-carboxylic acid Openeye Name: 4-amino-6-(4-benzyloxy-3-chloro-anilino)pyrimidine-5-carboxylic acid CAS Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylic acid Traditional Name: 4-amino-6-(4-benzoxy-3-chloro-anilino)pyrimidine-5-carboxylic acid Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC(=C3C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)NC3=NC=NC(=C3C(=O)O)N)Cl

InChI

InChI=1S/C18H15ClN4O3/c19-13-8-12(23-17-15(18(24)25)16(20)21-10-22-17)6-7-14(13)26-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,24,25)(H3,20,21,22,23)