3-(2-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 3-(o-tolyl)-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 3-(2-methylphenyl)-2-(1-pyrrolidinylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 3-(2-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 3-(o-tolyl)-2-(pyrrolidinomethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C4=C(S3)CCCC4)CN5CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C4=C(S3)CCCC4)CN5CCCC5

InChI

InChI=1S/C22H25N3OS/c1-15-8-2-4-10-17(15)25-19(14-24-12-6-7-13-24)23-21-20(22(25)26)16-9-3-5-11-18(16)27-21/h2,4,8,10H,3,5-7,9,11-14H2,1H3