3-(6-bromanylhexyl)-1-(2-hydroxyethyloxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 3-(6-bromanylhexyl)-1-(2-hydroxyethyloxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 3-(6-bromohexyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 3-(6-bromohexyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 3-(6-bromohexyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 3-(6-bromohexyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C20H27BrN2O4S MolecularWeight: 471.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=O)N(C1=O)CCCCCCBr)COCCO)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(N(C(=O)N(C1=O)CCCCCCBr)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C20H27BrN2O4S/c1-16-18(25)22(12-8-3-2-7-11-21)20(26)23(15-27-14-13-24)19(16)28-17-9-5-4-6-10-17/h4-6,9-10,24H,2-3,7-8,11-15H2,1H3