4-[5-chloranyl-1-(4-phenyl-6-phenylazanyl-pyrimidin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-chloranyl-1-(4-phenyl-6-phenylazanyl-pyrimidin-2-yl)indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(4-anilino-6-phenyl-pyrimidin-2-yl)-5-chloro-indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-(4-anilino-6-phenyl-2-pyrimidinyl)-5-chloro-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-(4-anilino-6-phenylpyrimidin-2-yl)-5-chloroindol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-(4-anilino-6-phenyl-pyrimidin-2-yl)-5-chloro-indol-3-yl]-4-keto-butyric acid Formula: C28H21ClN4O3 MolecularWeight: 496.94434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C4=C3C=CC(=C4)Cl)C(=O)CCC(=O)O)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C=C(C4=C3C=CC(=C4)Cl)C(=O)CCC(=O)O)NC5=CC=CC=C5

InChI

InChI=1S/C28H21ClN4O3/c29-19-11-12-24-21(15-19)22(25(34)13-14-27(35)36)17-33(24)28-31-23(18-7-3-1-4-8-18)16-26(32-28)30-20-9-5-2-6-10-20/h1-12,15-17H,13-14H2,(H,35,36)(H,30,31,32)