7-bromanyl-2-[(4-tert-butylphenyl)methylsulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-[(4-tert-butylphenyl)methylsulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[(4-tert-butylphenyl)methylsulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[(4-tert-butylphenyl)methylsulfonylmethyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-[(4-tert-butylphenyl)methylsulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[(4-tert-butylbenzyl)sulfonylmethyl]pyrido[1,2-a]pyrimidin-4-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-20(2,3)15-6-4-14(5-7-15)12-27(25,26)13-17-10-19(24)23-11-16(21)8-9-18(23)22-17/h4-11H,12-13H2,1-3H3