4-[[4-(3-chloranylphenoxy)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine

Systemtic Name: 4-[[4-(3-chloranylphenoxy)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine Openeye Name: 4-[[4-(3-chlorophenoxy)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methyl]morpholine CAS Name: 4-[[4-(3-chlorophenoxy)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine IUPAC Name: 4-[[4-(3-chlorophenoxy)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine Traditional Name: 4-[[4-(3-chlorophenoxy)-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]methyl]morpholine Formula: C22H24ClN3O2S MolecularWeight: 429.96286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=NC(=NC(=C23)OC4=CC(=CC=C4)Cl)CN5CCOCC5

Isomeric SMILES

CC1CCC2=C(C1)SC3=NC(=NC(=C23)OC4=CC(=CC=C4)Cl)CN5CCOCC5

InChI

InChI=1S/C22H24ClN3O2S/c1-14-5-6-17-18(11-14)29-22-20(17)21(28-16-4-2-3-15(23)12-16)24-19(25-22)13-26-7-9-27-10-8-26/h2-4,12,14H,5-11,13H2,1H3