N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-benzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-(3-bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: (3-bromophenyl)-(7,7-dimethoxy-6,8-dihydro-5H-benzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1(CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C18H18BrN3O2S/c1-23-18(24-2)7-6-13-14(9-18)25-17-15(13)16(20-10-21-17)22-12-5-3-4-11(19)8-12/h3-5,8,10H,6-7,9H2,1-2H3,(H,20,21,22)