6-azanyl-5,5-bis[2-(phenylsulfonyl)ethyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5,5-bis[2-(phenylsulfonyl)ethyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5,5-bis[2-(benzenesulfonyl)ethyl]pyrimidine-2,4-dione CAS Name: 6-amino-5,5-bis[2-(benzenesulfonyl)ethyl]pyrimidine-2,4-dione IUPAC Name: 6-amino-5,5-bis[2-(benzenesulfonyl)ethyl]pyrimidine-2,4-dione Traditional Name: 6-amino-5,5-bis(2-besylethyl)pyrimidine-2,4-quinone Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S2/c21-17-20(18(24)23-19(25)22-17,11-13-30(26,27)15-7-3-1-4-8-15)12-14-31(28,29)16-9-5-2-6-10-16/h1-10H,11-14H2,(H3,21,22,23,24,25)