N-[2,4-bis(fluoranyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(2,4-difluorophenyl)-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(2,4-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(2,4-difluorophenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (2,4-difluorophenyl)-(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C17H15F2N3S MolecularWeight: 331.382906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C3=C(CCCC3)SC2=N1)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

CC1=NC(=C2C3=C(CCCC3)SC2=N1)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C17H15F2N3S/c1-9-20-16(22-13-7-6-10(18)8-12(13)19)15-11-4-2-3-5-14(11)23-17(15)21-9/h6-8H,2-5H2,1H3,(H,20,21,22)