5-[4-[(4-phenylmethoxyphenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid

Systemtic Name: 5-[4-[(4-phenylmethoxyphenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid Openeye Name: 5-[4-(4-benzyloxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid CAS Name: 5-[4-(4-phenylmethoxyanilino)-6-pyrido[3,4-d]pyrimidinyl]-2-furancarboxylic acid IUPAC Name: 5-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]furan-2-carboxylic acid Traditional Name: 5-[4-(4-benzoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]-2-furoic acid Formula: C25H18N4O4 MolecularWeight: 438.43482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=CN=C(C=C43)C5=CC=C(O5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=CN=C(C=C43)C5=CC=C(O5)C(=O)O

InChI

InChI=1S/C25H18N4O4/c30-25(31)23-11-10-22(33-23)20-12-19-21(13-26-20)27-15-28-24(19)29-17-6-8-18(9-7-17)32-14-16-4-2-1-3-5-16/h1-13,15H,14H2,(H,30,31)(H,27,28,29)