2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanyl-2-phenyl-acetic acid CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]-2-phenyl-acetic acid Formula: C21H15ClN4O2S MolecularWeight: 422.8874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SC2=NC(=CC(=N2)Cl)NC3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SC2=NC(=CC(=N2)Cl)NC3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C21H15ClN4O2S/c22-17-12-18(24-15-8-9-16-14(11-15)7-4-10-23-16)26-21(25-17)29-19(20(27)28)13-5-2-1-3-6-13/h1-12,19H,(H,27,28)(H,24,25,26)