2-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[3-bromanyl-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-bromo-4-(1-naphthylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-bromo-4-(1-naphthalenylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-bromo-4-(1-naphthylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C27H21BrN2O2S MolecularWeight: 517.43684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC(=C(C=C4)OCC5=CC=CC6=CC=CC=C65)Br

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC(=C(C=C4)OCC5=CC=CC6=CC=CC=C65)Br

InChI

InChI=1S/C27H21BrN2O2S/c28-21-14-17(25-29-26(31)24-20-10-3-4-11-23(20)33-27(24)30-25)12-13-22(21)32-15-18-8-5-7-16-6-1-2-9-19(16)18/h1-2,5-9,12-14H,3-4,10-11,15H2,(H,29,30,31)