3-(7-bromanylheptyl)-1-(2-hydroxyethyloxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione

Systemtic Name: 3-(7-bromanylheptyl)-1-(2-hydroxyethyloxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione Openeye Name: 3-(7-bromoheptyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione CAS Name: 3-(7-bromoheptyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-dione IUPAC Name: 3-(7-bromoheptyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione Traditional Name: 3-(7-bromoheptyl)-1-(2-hydroxyethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4-quinone Formula: C21H29BrN2O4S MolecularWeight: 485.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O4S/c1-17-19(26)23(13-9-4-2-3-8-12-22)21(27)24(16-28-15-14-25)20(17)29-18-10-6-5-7-11-18/h5-7,10-11,25H,2-4,8-9,12-16H2,1H3