4-(3-bromanyl-4-fluoranyl-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one

Systemtic Name: 4-(3-bromanyl-4-fluoranyl-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Openeye Name: 4-(3-bromo-4-fluoro-phenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one CAS Name: 4-(3-bromo-4-fluorophenyl)-3-methyl-1-(2-pyrimidinyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one IUPAC Name: 4-(3-bromo-4-fluorophenyl)-3-methyl-1-pyrimidin-2-yl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-3-methyl-1-(2-pyrimidyl)-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one Formula: C17H13BrFN5OS MolecularWeight: 434.285423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=C(C=C4)F)Br

Isomeric SMILES

CC1=C2C(SCC(=O)N=C2N(N1)C3=NC=CC=N3)C4=CC(=C(C=C4)F)Br

InChI

InChI=1S/C17H13BrFN5OS/c1-9-14-15(10-3-4-12(19)11(18)7-10)26-8-13(25)22-16(14)24(23-9)17-20-5-2-6-21-17/h2-7,15,23H,8H2,1H3