N-[2,7-bis(chloranyl)-9,9-dimethyl-5-(pyrimidin-2-ylamino)xanthen-4-yl]ethanamide

Systemtic Name: N-[2,7-bis(chloranyl)-9,9-dimethyl-5-(pyrimidin-2-ylamino)xanthen-4-yl]ethanamide Openeye Name: N-[2,7-dichloro-9,9-dimethyl-5-(pyrimidin-2-ylamino)xanthen-4-yl]acetamide CAS Name: N-[2,7-dichloro-9,9-dimethyl-5-(2-pyrimidinylamino)-4-xanthenyl]acetamide IUPAC Name: N-[2,7-dichloro-9,9-dimethyl-5-(pyrimidin-2-ylamino)xanthen-4-yl]acetamide Traditional Name: N-[2,7-dichloro-9,9-dimethyl-5-(2-pyrimidylamino)xanthen-4-yl]acetamide Formula: C21H18Cl2N4O2 MolecularWeight: 429.29922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)Cl)C(C3=CC(=CC(=C3O2)NC4=NC=CC=N4)Cl)(C)C

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)Cl)C(C3=CC(=CC(=C3O2)NC4=NC=CC=N4)Cl)(C)C

InChI

InChI=1S/C21H18Cl2N4O2/c1-11(28)26-16-9-12(22)7-14-18(16)29-19-15(21(14,2)3)8-13(23)10-17(19)27-20-24-5-4-6-25-20/h4-10H,1-3H3,(H,26,28)(H,24,25,27)