5-(4-methylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(p-tolyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-2-[[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-methylphenyl)-2-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(p-tolyl)-2-[[(5-pyrrolidinosulfonyl-2-pyridyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H22N4O3S3 MolecularWeight: 498.64078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H22N4O3S3/c1-15-4-6-16(7-5-15)18-13-32-23-21(18)22(28)25-19(26-23)14-31-20-9-8-17(12-24-20)33(29,30)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,25,26,28)