6-azanyl-5,5-bis[2-(phenylsulfonyl)ethyl]-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-azanyl-5,5-bis[2-(phenylsulfonyl)ethyl]-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-5,5-bis[2-(benzenesulfonyl)ethyl]-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-5,5-bis[2-(benzenesulfonyl)ethyl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-5,5-bis[2-(benzenesulfonyl)ethyl]-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-5,5-bis(2-besylethyl)-2-thioxo-pyrimidin-4-one Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=NC(=S)NC2=O)N)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC2(C(=NC(=S)NC2=O)N)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S3/c21-17-20(18(24)23-19(29)22-17,11-13-30(25,26)15-7-3-1-4-8-15)12-14-31(27,28)16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,21,22,23,24,29)