7-[[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-one

Systemtic Name: 7-[[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-one Openeye Name: 7-[[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-one CAS Name: 7-[[[4-(4-bromophenyl)-2-pyrimidinyl]thio]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-one IUPAC Name: 7-[[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylmethyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-one Traditional Name: 7-[[[4-(4-bromophenyl)pyrimidin-2-yl]thio]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-5-one Formula: C18H14BrN5OS MolecularWeight: 428.30566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=O)C=C(N2N1)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=NC(=O)C=C(N2N1)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H14BrN5OS/c1-11-8-16-22-17(25)9-14(24(16)23-11)10-26-18-20-7-6-15(21-18)12-2-4-13(19)5-3-12/h2-9,23H,10H2,1H3