N4-(3-bromophenyl)-N7-ethyl-8-fluoranyl-[1]benzothiolo[3,2-d]pyrimidine-4,7-diamine

Systemtic Name: N4-(3-bromophenyl)-N7-ethyl-8-fluoranyl-[1]benzothiolo[3,2-d]pyrimidine-4,7-diamine Openeye Name: N4-(3-bromophenyl)-N7-ethyl-8-fluoro-benzothiopheno[3,2-d]pyrimidine-4,7-diamine CAS Name: N4-(3-bromophenyl)-N7-ethyl-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine-4,7-diamine IUPAC Name: 4-N-(3-bromophenyl)-7-N-ethyl-8-fluoro-[1]benzothiolo[3,2-d]pyrimidine-4,7-diamine Traditional Name: [4-(3-bromoanilino)-8-fluoro-benzothiopheno[3,2-d]pyrimidin-7-yl]-ethyl-amine Formula: C18H14BrFN4S MolecularWeight: 417.297963

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)SC3=C2N=CN=C3NC4=CC(=CC=C4)Br)F

Isomeric SMILES

CCNC1=C(C=C2C(=C1)SC3=C2N=CN=C3NC4=CC(=CC=C4)Br)F

InChI

InChI=1S/C18H14BrFN4S/c1-2-21-14-8-15-12(7-13(14)20)16-17(25-15)18(23-9-22-16)24-11-5-3-4-10(19)6-11/h3-9,21H,2H2,1H3,(H,22,23,24)