3-(4-chlorophenyl)-6-methyl-2-(2-oxidanylpropylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(4-chlorophenyl)-6-methyl-2-(2-oxidanylpropylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(4-chlorophenyl)-2-(2-hydroxypropylamino)-6-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(4-chlorophenyl)-2-(2-hydroxypropylamino)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(4-chlorophenyl)-2-(2-hydroxypropylamino)-6-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-chlorophenyl)-2-(2-hydroxypropylamino)-6-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)NCC(C)O

Isomeric SMILES

CC1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)NCC(C)O

InChI

InChI=1S/C20H22ClN3O2S/c1-11-3-8-16-15(9-11)17-18(27-16)23-20(22-10-12(2)25)24(19(17)26)14-6-4-13(21)5-7-14/h4-7,11-12,25H,3,8-10H2,1-2H3,(H,22,23)