5-cyclopropyl-2-[2-(phenylsulfonyl)ethylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-[2-(phenylsulfonyl)ethylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[2-(benzenesulfonyl)ethylsulfanyl]-5-cyclopropyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-5-cyclopropyl-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-5-cyclopropyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-(2-besylethylthio)-5-cyclopropyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H20N2O3S3 MolecularWeight: 432.5794

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)C3=CC=CC=C3)SC=C2C4CC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCS(=O)(=O)C3=CC=CC=C3)SC=C2C4CC4

InChI

InChI=1S/C20H20N2O3S3/c1-2-10-22-19(23)17-16(14-8-9-14)13-27-18(17)21-20(22)26-11-12-28(24,25)15-6-4-3-5-7-15/h2-7,13-14H,1,8-12H2