ethyl 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanyl-2-phenyl-acetate CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyl-2-phenylacetate Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]-2-phenyl-acetic acid ethyl ester Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN4O2S/c1-2-30-22(29)21(15-7-4-3-5-8-15)31-23-27-19(24)14-20(28-23)26-17-10-11-18-16(13-17)9-6-12-25-18/h3-14,21H,2H2,1H3,(H,26,27,28)